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

Systemtic Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-(4-phenyl-1-piperazin-1-iumyl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-N-mesityl-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-16-14-17(2)21(18(3)15-16)23-22(26)19(4)24-10-12-25(13-11-24)20-8-6-5-7-9-20/h5-9,14-15,19H,10-13H2,1-4H3,(H,23,26)/p+1/t19-/m0/s1