N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-3-methyl-benzamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-16-4-2-6-18(12-16)21(27)23-14-20(26)25-10-8-24(9-11-25)15-17-5-3-7-19(22)13-17/h2-7,12-13H,8-11,14-15H2,1H3,(H,23,27)/p+1