2-[(2S)-1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1-phenylpiperidin-4-yl)ethanamide

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1-phenylpiperidin-4-yl)ethanamide Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-3-oxo-piperazin-1-ium-2-yl]-N-(1-phenyl-4-piperidyl)acetamide CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-3-oxo-2-piperazin-1-iumyl]-N-(1-phenyl-4-piperidinyl)acetamide IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-3-oxopiperazin-1-ium-2-yl]-N-(1-phenylpiperidin-4-yl)acetamide Traditional Name: 2-[(2S)-3-keto-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]-N-(1-phenyl-4-piperidyl)acetamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCNC(=O)C1CC(=O)NC2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC(=CC[NH+]1CCNC(=O)[C@@H]1CC(=O)NC2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H32N4O2/c1-17(2)8-12-26-15-11-23-22(28)20(26)16-21(27)24-18-9-13-25(14-10-18)19-6-4-3-5-7-19/h3-8,18,20H,9-16H2,1-2H3,(H,23,28)(H,24,27)/p+1/t20-/m0/s1