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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)CC(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)CC(C)C)OC

InChI

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