3-chloranyl-4,5-dimethoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 3-chloranyl-4,5-dimethoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 3-chloro-4,5-dimethoxy-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 3-chloro-4,5-dimethoxy-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 3-chloro-4,5-dimethoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 3-chloro-4,5-dimethoxy-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide Formula: C22H29ClN3O3+ MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3/c1-16-5-4-6-18(13-16)26-11-9-25(10-12-26)8-7-24-22(27)17-14-19(23)21(29-3)20(15-17)28-2/h4-6,13-15H,7-12H2,1-3H3,(H,24,27)/p+1