N-cycloheptyl-4-oxidanylidene-1-propan-2-yl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: N-cycloheptyl-4-oxidanylidene-1-propan-2-yl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-cycloheptyl-1-isopropyl-4-oxo-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-cycloheptyl-4-oxo-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: N-cycloheptyl-4-oxo-1-propan-2-yl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-cycloheptyl-1-isopropyl-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)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)NC4CCCCCC4

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)NC4CCCCCC4

InChI

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