N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,5-dimethyl-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,5-dimethyl-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3,5-dimethylbenzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,5-dimethylbenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-3,5-dimethyl-benzamide Formula: C26H29ClN3O+ MolecularWeight: 434.98096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C26H28ClN3O/c1-19-15-20(2)17-22(16-19)26(31)28-23-7-9-24(10-8-23)30-13-11-29(12-14-30)18-21-5-3-4-6-25(21)27/h3-10,15-17H,11-14,18H2,1-2H3,(H,28,31)/p+1