(2S)-N-[(4-methylphenyl)methyl]-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-(4-phenethylpiperazin-1-ium-1-yl)-N-(p-tolylmethyl)propanamide CAS Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-phenethyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-methylbenzyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propionamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O/c1-19-8-10-22(11-9-19)18-24-23(27)20(2)26-16-14-25(15-17-26)13-12-21-6-4-3-5-7-21/h3-11,20H,12-18H2,1-2H3,(H,24,27)/p+1/t20-/m0/s1