2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-isopropylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-propan-2-yl-4-piperidin-1-iumyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3,5-dimethoxybenzyl)-4-(1-isopropylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol Formula: C23H41N3O3+2 MolecularWeight: 407.58994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2CC[NH+](C(C2)CCO)CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2CC[NH+]([C@H](C2)CCO)CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H39N3O3/c1-18(2)24-8-5-20(6-9-24)26-11-10-25(21(17-26)7-12-27)16-19-13-22(28-3)15-23(14-19)29-4/h13-15,18,20-21,27H,5-12,16-17H2,1-4H3/p+2/t21-/m0/s1