2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCN(CC2CCO)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCN(C[C@@H]2CCO)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H27N3O3/c1-16-4-2-6-18(22-16)13-24-10-9-23(14-19(24)8-11-25)12-17-5-3-7-20-21(17)27-15-26-20/h2-7,19,25H,8-15H2,1H3/p+1/t19-/m0/s1