(3R)-4-(3-methylbutyl)-3-[2-oxidanylidene-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(3-methylbutyl)-3-[2-oxidanylidene-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-isopentyl-3-[2-oxo-2-[4-(3-pyridyloxy)-1-piperidyl]ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(3-methylbutyl)-3-[2-oxo-2-[4-(3-pyridinyloxy)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(3-methylbutyl)-3-[2-oxo-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-isoamyl-3-[2-keto-2-[4-(3-pyridyloxy)piperidino]ethyl]piperazin-4-ium-2-one Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)N2CCC(CC2)OC3=CN=CC=C3

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCC(CC2)OC3=CN=CC=C3

InChI

InChI=1S/C21H32N4O3/c1-16(2)5-10-24-13-9-23-21(27)19(24)14-20(26)25-11-6-17(7-12-25)28-18-4-3-8-22-15-18/h3-4,8,15-17,19H,5-7,9-14H2,1-2H3,(H,23,27)/p+1/t19-/m1/s1