3-chloranyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-chloro-benzothiophene-2-carboxamide Formula: C26H25ClN3OS+ MolecularWeight: 463.0142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H24ClN3OS/c27-24-22-8-4-5-9-23(22)32-25(24)26(31)28-20-10-12-21(13-11-20)30-16-14-29(15-17-30)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,28,31)/p+1