N5-methyl-4-oxidanylidene-N3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide

Systemtic Name: N5-methyl-4-oxidanylidene-N3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide Openeye Name: N3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-N5-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide CAS Name: N5-methyl-4-oxo-N3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide IUPAC Name: 3-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-keto-N'-methyl-1-(3-phenylpropyl)dinicotinamide Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3/c1-29-27(34)24-19-31(15-8-13-21-9-4-2-5-10-21)20-25(26(24)33)28(35)30-23-14-16-32(18-23)17-22-11-6-3-7-12-22/h2-7,9-12,19-20,23H,8,13-18H2,1H3,(H,29,34)(H,30,35)/p+1/t23-/m0/s1