4-[(5-chloranylthiophen-2-yl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-(3,5-dimethylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carboxamide Formula: C18H23ClN3OS+ MolecularWeight: 364.91272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)C

InChI

InChI=1S/C18H22ClN3OS/c1-13-9-14(2)11-15(10-13)20-18(23)22-7-5-21(6-8-22)12-16-3-4-17(19)24-16/h3-4,9-11H,5-8,12H2,1-2H3,(H,20,23)/p+1