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

Systemtic Name: (2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]propanamide Openeye Name: (2S)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]propanamide CAS Name: (2S)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N-[(2S)-2-phenylbutyl]propanamide IUPAC Name: (2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]propanamide Traditional Name: (2S)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]propionamide Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)[NH+]1CCN(CC1)C2=CC=CC=C2C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=CC=CC=C2C)C3=CC=CC=C3

InChI

InChI=1S/C24H33N3O/c1-4-21(22-11-6-5-7-12-22)18-25-24(28)20(3)26-14-16-27(17-15-26)23-13-9-8-10-19(23)2/h5-13,20-21H,4,14-18H2,1-3H3,(H,25,28)/p+1/t20-,21+/m0/s1