2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(2-ethoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2-ethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C23H30N2O4/c1-2-27-21-8-4-3-6-18(21)15-25-12-11-24(16-20(25)10-13-26)14-19-7-5-9-22-23(19)29-17-28-22/h3-9,20,26H,2,10-17H2,1H3/p+1/t20-/m0/s1