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

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-isobutyl-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-isobutyl-1-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C19H33N2O2+ MolecularWeight: 321.47752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC(C)C)OC

InChI

InChI=1S/C19H32N2O2/c1-15(2)12-20-8-9-21(18(14-20)7-10-22)13-17-5-6-19(23-4)16(3)11-17/h5-6,11,15,18,22H,7-10,12-14H2,1-4H3/p+1/t18-/m0/s1