2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H33N2O5+ MolecularWeight: 429.52922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC4=C(C(=C3)OC)OCO4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=C(C(=C3)OC)OCO4)OC

InChI

InChI=1S/C24H32N2O5/c1-17-10-18(4-5-21(17)28-2)14-26-8-7-25(15-20(26)6-9-27)13-19-11-22(29-3)24-23(12-19)30-16-31-24/h4-5,10-12,20,27H,6-9,13-16H2,1-3H3/p+1/t20-/m0/s1