4-oxidanylidene-N5-(phenylmethyl)-N3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-propan-2-yl-pyridine-3,5-dicarboxamide

Systemtic Name: 4-oxidanylidene-N5-(phenylmethyl)-N3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-propan-2-yl-pyridine-3,5-dicarboxamide Openeye Name: N5-benzyl-N3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-isopropyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: 4-oxo-N5-(phenylmethyl)-N3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-propan-2-ylpyridine-3,5-dicarboxamide IUPAC Name: 5-N-benzyl-3-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide Traditional Name: N'-benzyl-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-isopropyl-4-keto-dinicotinamide Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C(=C1)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3/c1-20(2)32-18-24(27(34)29-15-21-9-5-3-6-10-21)26(33)25(19-32)28(35)30-23-13-14-31(17-23)16-22-11-7-4-8-12-22/h3-12,18-20,23H,13-17H2,1-2H3,(H,29,34)(H,30,35)/p+1/t23-/m0/s1