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

Systemtic Name: 5-chloranyl-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Openeye Name: 5-chloro-2-methoxy-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]benzamide CAS Name: 5-chloro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Traditional Name: 5-chloro-2-methoxy-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]benzamide Formula: C22H30ClN3O2+2 MolecularWeight: 403.9455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O2/c1-16-4-6-17(7-5-16)20(26-12-10-25(2)11-13-26)15-24-22(27)19-14-18(23)8-9-21(19)28-3/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,27)/p+2/t20-/m0/s1