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

Systemtic Name: N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-ethoxy-benzamide Openeye Name: N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-ethoxy-benzamide CAS Name: N-[(2R)-2-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3-ethoxybenzamide IUPAC Name: N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-ethoxybenzamide Traditional Name: N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-ethoxy-benzamide Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28ClN3O2/c1-3-28-20-6-4-5-18(15-20)22(27)24-16-21(17-7-9-19(23)10-8-17)26-13-11-25(2)12-14-26/h4-10,15,21H,3,11-14,16H2,1-2H3,(H,24,27)/p+1/t21-/m0/s1