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

Systemtic Name: 1-cyclopentyl-N5-(3-methylbutyl)-4-oxidanylidene-N3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridine-3,5-dicarboxamide Openeye Name: N3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-cyclopentyl-N5-isopentyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: 1-cyclopentyl-N5-(3-methylbutyl)-4-oxo-N3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-cyclopentyl-5-N-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-cyclopentyl-N'-isoamyl-4-keto-dinicotinamide Formula: C28H39N4O3+ MolecularWeight: 479.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C28H38N4O3/c1-20(2)12-14-29-27(34)24-18-32(23-10-6-7-11-23)19-25(26(24)33)28(35)30-22-13-15-31(17-22)16-21-8-4-3-5-9-21/h3-5,8-9,18-20,22-23H,6-7,10-17H2,1-2H3,(H,29,34)(H,30,35)/p+1/t22-/m0/s1