(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-oxo-2-(1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(3,5-dimethoxybenzyl)-3-(2-keto-2-piperidino-ethyl)piperazin-4-ium-2-one Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCCC3)OC

InChI

InChI=1S/C20H29N3O4/c1-26-16-10-15(11-17(12-16)27-2)14-23-9-6-21-20(25)18(23)13-19(24)22-7-4-3-5-8-22/h10-12,18H,3-9,13-14H2,1-2H3,(H,21,25)/p+1/t18-/m1/s1