3-[(3R)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(3,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(3,5-dimethoxybenzyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H37N3O3+2 MolecularWeight: 391.54748

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H35N3O3/c1-23-9-11-25(12-10-23)22(26)7-6-18-5-4-8-24(16-18)17-19-13-20(27-2)15-21(14-19)28-3/h13-15,18H,4-12,16-17H2,1-3H3/p+2/t18-/m1/s1