1-methyl-4-oxidanylidene-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoline-3-carboxamide

Systemtic Name: 1-methyl-4-oxidanylidene-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoline-3-carboxamide Openeye Name: 1-methyl-4-oxo-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoline-3-carboxamide CAS Name: 1-methyl-4-oxo-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-quinolinecarboxamide IUPAC Name: 1-methyl-4-oxo-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoline-3-carboxamide Traditional Name: 4-keto-1-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoline-3-carboxamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NC3CCC[NH+](C3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)N[C@H]3CCC[NH+](C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-27-18-22(24(29)21-13-5-6-14-23(21)27)25(30)26-20-12-8-16-28(17-20)15-7-11-19-9-3-2-4-10-19/h2-6,9-10,13-14,18,20H,7-8,11-12,15-17H2,1H3,(H,26,30)/p+1/t20-/m0/s1