1-[3-(3,4-dimethylphenyl)carbonyl-6-methyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-(3,4-dimethylphenyl)carbonyl-6-methyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-(3,4-dimethylbenzoyl)-6-methyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[3-[(3,4-dimethylphenyl)-oxomethyl]-6-methyl-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-[3-(3,4-dimethylbenzoyl)-6-methyl-quinolin-1-ium-4-yl]isonipecotamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)C3=CC(=C(C=C3)C)C)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)C3=CC(=C(C=C3)C)C)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C25H27N3O2/c1-15-4-7-22-20(12-15)23(28-10-8-18(9-11-28)25(26)30)21(14-27-22)24(29)19-6-5-16(2)17(3)13-19/h4-7,12-14,18H,8-11H2,1-3H3,(H2,26,30)/p+1