(2S)-N-(2,6-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-16-8-7-9-17(2)20(16)22-21(25)18(3)23-12-14-24(15-13-23)19-10-5-4-6-11-19/h4-11,18H,12-15H2,1-3H3,(H,22,25)/p+1/t18-/m0/s1