N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-3-thiophen-3-yl-propanamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-3-thiophen-3-yl-propanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(3-thienyl)propanamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-thiophen-3-ylpropanamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(3-thienyl)propionamide Formula: C24H28N3OS+ MolecularWeight: 406.56362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=CSC=C4

InChI

InChI=1S/C24H27N3OS/c28-24(11-6-21-12-17-29-19-21)25-22-7-9-23(10-8-22)27-15-13-26(14-16-27)18-20-4-2-1-3-5-20/h1-5,7-10,12,17,19H,6,11,13-16,18H2,(H,25,28)/p+1