N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]thiophene-2-carboxamide Formula: C22H23ClN3OS+ MolecularWeight: 412.95552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H22ClN3OS/c23-20-5-2-1-4-17(20)16-25-11-13-26(14-12-25)19-9-7-18(8-10-19)24-22(27)21-6-3-15-28-21/h1-10,15H,11-14,16H2,(H,24,27)/p+1