1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-[4-[oxo(2-pyridinyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-(4-picolinoylpiperazin-1-ium-1-yl)ethanone Formula: C24H31N4O4+ MolecularWeight: 439.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C24H30N4O4/c1-31-18-8-9-22(32-2)19(16-18)21-7-5-11-28(21)23(29)17-26-12-14-27(15-13-26)24(30)20-6-3-4-10-25-20/h3-4,6,8-10,16,21H,5,7,11-15,17H2,1-2H3/p+1/t21-/m1/s1