N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C21H26ClN3O2/c1-15-5-4-6-19(16(15)2)25-11-9-24(10-12-25)14-21(26)23-18-13-17(22)7-8-20(18)27-3/h4-8,13H,9-12,14H2,1-3H3,(H,23,26)/p+1