N-(5-chloranyl-2-methoxy-phenyl)-2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O2/c1-15-4-7-18(8-5-15)25-11-10-24(13-16(25)2)14-21(26)23-19-12-17(22)6-9-20(19)27-3/h4-9,12,16H,10-11,13-14H2,1-3H3,(H,23,26)/p+1/t16-/m0/s1