3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)propanamide

Systemtic Name: 3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)propanamide Openeye Name: N-(2-chlorophenyl)-3-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-chlorophenyl)-3-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-chlorophenyl)-3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-chlorophenyl)-3-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]propionamide Formula: C18H22Cl2N3OS+ MolecularWeight: 399.35778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2Cl)CC3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2Cl)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H21Cl2N3OS/c19-15-3-1-2-4-16(15)21-18(24)7-8-22-9-11-23(12-10-22)13-14-5-6-17(20)25-14/h1-6H,7-13H2,(H,21,24)/p+1