(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(m-tolyl)propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-16-7-6-8-18(15-16)22-21(25)17(2)23-11-13-24(14-12-23)19-9-4-5-10-20(19)26-3/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1