4-chloranyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Openeye Name: 4-chloro-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]benzamide CAS Name: 4-chloro-N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]benzamide IUPAC Name: 4-chloro-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Traditional Name: 4-chloro-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]benzamide Formula: C21H28ClN3O+2 MolecularWeight: 373.91952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)Cl)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)Cl)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C21H26ClN3O/c1-16-3-5-17(6-4-16)20(25-13-11-24(2)12-14-25)15-23-21(26)18-7-9-19(22)10-8-18/h3-10,20H,11-15H2,1-2H3,(H,23,26)/p+2/t20-/m0/s1