2-[2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C18H23ClN4O2S+2 MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Cl)CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Cl)CC(=O)NC3=C(C=CS3)C(=O)N

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+2