3-butoxy-N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide

Systemtic Name: 3-butoxy-N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Openeye Name: 3-butoxy-N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide CAS Name: 3-butoxy-N-[(2R)-2-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]benzamide IUPAC Name: 3-butoxy-N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Traditional Name: 3-butoxy-N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Formula: C24H33ClN3O2+ MolecularWeight: 430.99072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C24H32ClN3O2/c1-3-4-16-30-22-7-5-6-20(17-22)24(29)26-18-23(19-8-10-21(25)11-9-19)28-14-12-27(2)13-15-28/h5-11,17,23H,3-4,12-16,18H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1