N-[(2S)-butan-2-yl]-1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-cyclopentyl-N-[(1S)-1-methylpropyl]-5-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-cyclopentyl-5-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: 1-cyclopentyl-4-keto-5-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]-N-[(1S)-1-methylpropyl]nicotinamide Formula: C28H39N4O3+ MolecularWeight: 479.63426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O3/c1-4-21(3)29-27(34)24-18-32(23-10-5-6-11-23)19-25(26(24)33)28(35)31-14-12-30(13-15-31)17-22-9-7-8-20(2)16-22/h7-9,16,18-19,21,23H,4-6,10-15,17H2,1-3H3,(H,29,34)/p+1/t21-/m0/s1