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

Systemtic Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(m-tolyl)propionamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H25N3O2/c1-15-6-5-7-17(14-15)21-20(25)16(2)22-10-12-23(13-11-22)18-8-3-4-9-19(18)24/h3-9,14,16,24H,10-13H2,1-2H3,(H,21,25)/p+1/t16-/m0/s1