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

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-propan-2-yl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-isopropyl-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-propan-2-yl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-propan-2-ylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-isopropyl-1-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C18H31N2O2+ MolecularWeight: 307.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-14(2)19-8-9-20(17(13-19)7-10-21)12-16-5-6-18(22-4)15(3)11-16/h5-6,11,14,17,21H,7-10,12-13H2,1-4H3/p+1/t17-/m0/s1