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

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-benzamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-benzamide CAS Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3-methylbenzamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methylbenzamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-benzamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC[C@H](C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H26ClN3O/c1-16-4-3-5-18(14-16)21(26)23-15-20(17-6-8-19(22)9-7-17)25-12-10-24(2)11-13-25/h3-9,14,20H,10-13,15H2,1-2H3,(H,23,26)/p+1/t20-/m1/s1