(2S)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(2-isopropylphenyl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-1-iumyl]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-1-ium-1-yl]-N-o-cumenyl-propionamide Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)CC(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)[NH+]2CCN(CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C23H36N4O2/c1-18(2)20-9-5-6-10-21(20)24-23(29)19(3)26-15-13-25(14-16-26)17-22(28)27-11-7-4-8-12-27/h5-6,9-10,18-19H,4,7-8,11-17H2,1-3H3,(H,24,29)/p+1/t19-/m0/s1