1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]piperidin-1-ium-4-ol Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)C[NH+]3CCC(CC3)O

Isomeric SMILES

C[C@@H](CC1=CC2=C(C=C1)OCO2)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C16H23NO3/c1-12(10-17-6-4-14(18)5-7-17)8-13-2-3-15-16(9-13)20-11-19-15/h2-3,9,12,14,18H,4-8,10-11H2,1H3/p+1/t12-/m0/s1