(2S)-N-(5-chloranyl-2-methyl-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

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