N-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C21H22N3O2S2+ MolecularWeight: 412.54828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O2S2/c25-20(19-7-3-13-28-19)22-17-5-1-4-16(14-17)21(26)24-10-8-23(9-11-24)15-18-6-2-12-27-18/h1-7,12-14H,8-11,15H2,(H,22,25)/p+1