(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-2-(4-phenyl-1-piperazin-1-iumyl)-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-N-p-cumenyl-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-17(2)19-9-11-20(12-10-19)23-22(26)18(3)24-13-15-25(16-14-24)21-7-5-4-6-8-21/h4-12,17-18H,13-16H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1