N-tert-butyl-1-cyclohexyl-4-oxidanylidene-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: N-tert-butyl-1-cyclohexyl-4-oxidanylidene-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-tert-butyl-1-cyclohexyl-4-oxo-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-tert-butyl-1-cyclohexyl-4-oxo-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-tert-butyl-1-cyclohexyl-4-oxo-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-tert-butyl-1-cyclohexyl-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)(C)NC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)NC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C4CCCCC4

InChI

InChI=1S/C27H37N5O3/c1-27(2,3)29-25(34)22-18-32(21-7-5-4-6-8-21)19-23(24(22)33)26(35)31-15-13-30(14-16-31)17-20-9-11-28-12-10-20/h9-12,18-19,21H,4-8,13-17H2,1-3H3,(H,29,34)/p+1