2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O2S/c19-14-3-1-2-13(10-14)11-22-5-7-23(8-6-22)12-16(24)21-18-15(17(20)25)4-9-26-18/h1-4,9-10H,5-8,11-12H2,(H2,20,25)(H,21,24)/p+1