(3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-[2-oxo-2-(1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-piperidino-ethyl)-4-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-one Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCCCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCCC3)OC

InChI

InChI=1S/C20H29N3O3/c1-15-12-16(6-7-18(15)26-2)14-23-11-8-21-20(25)17(23)13-19(24)22-9-4-3-5-10-22/h6-7,12,17H,3-5,8-11,13-14H2,1-2H3,(H,21,25)/p+1/t17-/m1/s1