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

Systemtic Name: (3R)-4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-[2-oxo-2-(1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-methoxy-2,3-dimethylphenyl)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-2,3-dimethyl-benzyl)piperazin-4-ium-2-one Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCNC(=O)C2CC(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCCC3

InChI

InChI=1S/C21H31N3O3/c1-15-16(2)19(27-3)8-7-17(15)14-24-12-9-22-21(26)18(24)13-20(25)23-10-5-4-6-11-23/h7-8,18H,4-6,9-14H2,1-3H3,(H,22,26)/p+1/t18-/m1/s1