2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)ethanamide

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-[3-(3-pyridyl)propyl]acetamide CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[3-(3-pyridinyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]-N-[3-(3-pyridyl)propyl]acetamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCNC(=O)C2CC(=O)NCCCC3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCC3=CN=CC=C3

InChI

InChI=1S/C21H32N4O2/c26-20(23-11-5-9-17-8-4-10-22-15-17)14-19-21(27)24-12-13-25(19)16-18-6-2-1-3-7-18/h4,8,10,15,18-19H,1-3,5-7,9,11-14,16H2,(H,23,26)(H,24,27)/p+1/t19-/m1/s1