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

Systemtic Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C18H29N2O4+ MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC3=C(C(=C2)OC)OCO3

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC3=C(C(=C2)OC)OCO3

InChI

InChI=1S/C18H28N2O4/c1-13(2)20-6-5-19(11-15(20)4-7-21)10-14-8-16(22-3)18-17(9-14)23-12-24-18/h8-9,13,15,21H,4-7,10-12H2,1-3H3/p+1/t15-/m0/s1