1-[(2S)-butan-2-yl]-4-oxidanylidene-N-prop-2-enyl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: 1-[(2S)-butan-2-yl]-4-oxidanylidene-N-prop-2-enyl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-allyl-1-[(1S)-1-methylpropyl]-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: 1-[(2S)-butan-2-yl]-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-N-prop-2-enyl-3-pyridinecarboxamide IUPAC Name: 1-[(2S)-butan-2-yl]-4-oxo-N-prop-2-enyl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-allyl-4-keto-1-[(1S)-1-methylpropyl]-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)NCC=C

InChI

InChI=1S/C23H30N4O3S/c1-4-8-24-22(29)19-15-27(17(3)5-2)16-20(21(19)28)23(30)26-11-9-25(10-12-26)14-18-7-6-13-31-18/h4,6-7,13,15-17H,1,5,8-12,14H2,2-3H3,(H,24,29)/p+1/t17-/m0/s1