(2S)-N-(4-cyclopentylphenyl)-4-methyl-2-(4-methylpiperazin-1-ium-1-yl)pentanamide

Systemtic Name: (2S)-N-(4-cyclopentylphenyl)-4-methyl-2-(4-methylpiperazin-1-ium-1-yl)pentanamide Openeye Name: (2S)-N-(4-cyclopentylphenyl)-4-methyl-2-(4-methylpiperazin-1-ium-1-yl)pentanamide CAS Name: (2S)-N-(4-cyclopentylphenyl)-4-methyl-2-(4-methyl-1-piperazin-1-iumyl)pentanamide IUPAC Name: (2S)-N-(4-cyclopentylphenyl)-4-methyl-2-(4-methylpiperazin-1-ium-1-yl)pentanamide Traditional Name: (2S)-N-(4-cyclopentylphenyl)-4-methyl-2-(4-methylpiperazin-1-ium-1-yl)valeramide Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)C2CCCC2)[NH+]3CCN(CC3)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=C(C=C1)C2CCCC2)[NH+]3CCN(CC3)C

InChI

InChI=1S/C22H35N3O/c1-17(2)16-21(25-14-12-24(3)13-15-25)22(26)23-20-10-8-19(9-11-20)18-6-4-5-7-18/h8-11,17-18,21H,4-7,12-16H2,1-3H3,(H,23,26)/p+1/t21-/m0/s1