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

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-carboxamide CAS Name: N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C23H24N3O2S+ MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H23N3O2S/c27-22(21-7-4-16-29-21)24-20-10-8-19(9-11-20)23(28)26-14-12-25(13-15-26)17-18-5-2-1-3-6-18/h1-11,16H,12-15,17H2,(H,24,27)/p+1