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

Systemtic Name: 4-oxidanylidene-N-(phenylmethyl)-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-benzyl-1-isopropyl-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: 4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-N-(phenylmethyl)-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: N-benzyl-4-oxo-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-benzyl-1-isopropyl-4-keto-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C26H31N4O3S+ MolecularWeight: 479.61434

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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=CS3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-19(2)30-17-22(25(32)27-15-20-7-4-3-5-8-20)24(31)23(18-30)26(33)29-12-10-28(11-13-29)16-21-9-6-14-34-21/h3-9,14,17-19H,10-13,15-16H2,1-2H3,(H,27,32)/p+1