(2S)-N-(3-methylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(m-tolyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-(4-phenethyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(m-tolyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-18-7-6-10-21(17-18)23-22(26)19(2)25-15-13-24(14-16-25)12-11-20-8-4-3-5-9-20/h3-10,17,19H,11-16H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1