N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-phenylphenyl)quinoline-4-carboxamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-phenylphenyl)quinoline-4-carboxamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-phenylphenyl)quinoline-4-carboxamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-2-(4-phenylphenyl)-4-quinolinecarboxamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-phenylphenyl)quinoline-4-carboxamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-phenylphenyl)cinchoninamide Formula: C29H30N3O+ MolecularWeight: 436.568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O/c1-31-18-16-24(17-19-31)32(2)29(33)26-20-28(30-27-11-7-6-10-25(26)27)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-15,20,24H,16-19H2,1-2H3/p+1