N-ethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-thiophene-2-carboxamide

Systemtic Name: N-ethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-thiophene-2-carboxamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-ethyl-thiophene-2-carboxamide CAS Name: N-ethyl-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-ethyl-thiophene-2-carboxamide Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CS1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)C1=CC(=CS1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S2/c1-2-19-18(22)17-12-16(14-25-17)26(23,24)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,19,22)/p+1