N-(1-cyclohexylethyl)-3-[(1-oxidanidylpyrrolidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(1-cyclohexylethyl)-3-[(1-oxidanidylpyrrolidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[(1-oxido-1-pyrrolidin-1-iumyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]-2-phenyl-cinchoninamide Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C[N+]5(CCCC5)[O-]

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C[N+]5(CCCC5)[O-]

InChI

InChI=1S/C29H35N3O2/c1-21(22-12-4-2-5-13-22)30-29(33)27-24-16-8-9-17-26(24)31-28(23-14-6-3-7-15-23)25(27)20-32(34)18-10-11-19-32/h3,6-9,14-17,21-22H,2,4-5,10-13,18-20H2,1H3,(H,30,33)