2-azanyl-4-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-(3-pyridin-1-iumyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-7,7-dimethyl-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C32H32N5O5+ MolecularWeight: 566.62698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=C[NH+]=CC=C5)N)C#N)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=C[NH+]=CC=C5)N)C#N)OC)[N+](=O)[O-]

InChI

InChI=1S/C32H31N5O5/c1-19-12-23(8-9-25(19)37(39)40)42-18-21-13-20(7-10-28(21)41-4)29-24(16-33)31(34)36(22-6-5-11-35-17-22)26-14-32(2,3)15-27(38)30(26)29/h5-13,17,29H,14-15,18,34H2,1-4H3/p+1