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

Systemtic Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(3-methoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-m-anisyl-piperazin-4-ium-2-yl]ethanol Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C22H28N2O4/c1-26-20-6-2-4-17(12-20)13-24-10-9-23(15-19(24)8-11-25)14-18-5-3-7-21-22(18)28-16-27-21/h2-7,12,19,25H,8-11,13-16H2,1H3/p+1/t19-/m0/s1