2-[(2S)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,4-dimethoxy-3-methyl-benzyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C20H35N2O3+ MolecularWeight: 351.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)CN2CC[NH+](C(C2)CCO)CC(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)CN2CC[NH+]([C@H](C2)CCO)CC(C)C)OC

InChI

InChI=1S/C20H34N2O3/c1-15(2)12-22-10-9-21(14-18(22)8-11-23)13-17-6-7-19(24-4)16(3)20(17)25-5/h6-7,15,18,23H,8-14H2,1-5H3/p+1/t18-/m0/s1