1-cyclopentyl-N-(3-methylbutyl)-4-oxidanylidene-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: 1-cyclopentyl-N-(3-methylbutyl)-4-oxidanylidene-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: 1-cyclopentyl-N-isopentyl-4-oxo-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: 1-cyclopentyl-N-(3-methylbutyl)-4-oxo-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 1-cyclopentyl-N-(3-methylbutyl)-4-oxo-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: 1-cyclopentyl-N-isoamyl-4-keto-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C27H38N5O3+ MolecularWeight: 480.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C4CCCC4

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C4CCCC4

InChI

InChI=1S/C27H37N5O3/c1-20(2)7-12-29-26(34)23-18-32(22-5-3-4-6-22)19-24(25(23)33)27(35)31-15-13-30(14-16-31)17-21-8-10-28-11-9-21/h8-11,18-20,22H,3-7,12-17H2,1-2H3,(H,29,34)/p+1