4-[3-[(2-aminocarbonylphenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-2-methylidene-5-oxidanylidene-N-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 4-[3-[(2-aminocarbonylphenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-2-methylidene-5-oxidanylidene-N-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-[3-[(2-carbamoylphenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-2-methylene-5-oxo-N-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-[3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-2-methylene-5-oxo-N-(2-pyridin-1-iumyl)-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-[3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-[3-[(2-carbamoylphenoxy)methyl]-4-methoxy-phenyl]-5-keto-7,7-dimethyl-2-methylene-N-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C33H35N4O5+ MolecularWeight: 567.6548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)NC3=CC=CC=[NH+]3)C4=CC(=C(C=C4)OC)COC5=CC=CC=C5C(=O)N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)NC3=CC=CC=[NH+]3)C4=CC(=C(C=C4)OC)COC5=CC=CC=C5C(=O)N)C(=O)C1)C

InChI

InChI=1S/C33H34N4O5/c1-19-28(32(40)37-27-11-7-8-14-35-27)29(30-23(36-19)16-33(2,3)17-24(30)38)20-12-13-25(41-4)21(15-20)18-42-26-10-6-5-9-22(26)31(34)39/h5-15,28-29,36H,1,16-18H2,2-4H3,(H2,34,39)(H,35,37,40)/p+1