6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-N-(thiophen-3-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: 6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-N-(thiophen-3-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: 6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-N-(3-thienylmethyl)-1H-pyridine-3-carboxamide CAS Name: 6-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-N-(3-thiophenylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: 6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: 2-keto-6-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-N-(3-thenyl)-1H-pyridine-3-carboxamide Formula: C24H29N4O3S+ MolecularWeight: 453.57706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C(=O)N3)C(=O)NCC4=CSC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C(=O)N3)C(=O)NCC4=CSC=C4

InChI

InChI=1S/C24H28N4O3S/c1-2-31-22-6-4-3-5-21(22)28-12-10-27(11-13-28)16-19-7-8-20(24(30)26-19)23(29)25-15-18-9-14-32-17-18/h3-9,14,17H,2,10-13,15-16H2,1H3,(H,25,29)(H,26,30)/p+1