3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C24H34N4O3+2 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C24H32N4O3/c1-30-19-8-9-20(22(18-19)31-2)21-6-5-12-26(21)13-10-24(29)28-16-14-27(15-17-28)23-7-3-4-11-25-23/h3-4,7-9,11,18,21H,5-6,10,12-17H2,1-2H3/p+2/t21-/m1/s1