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

Systemtic Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-piperidin-1-ium-1-yl-propyl]azanium Openeye Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-piperidin-1-ium-1-yl-propyl]ammonium CAS Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-piperidin-1-ium-1-ylpropyl]azanium Traditional Name: [(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-2-(piperidin-1-ium-1-ylmethyl)propyl]ammonium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)(C[NH3+])C[NH+]3CCCCC3

Isomeric SMILES

C[C@](CC1=CC2=C(C=C1)OCO2)(C[NH3+])C[NH+]3CCCCC3

InChI

InChI=1S/C17H26N2O2/c1-17(11-18,12-19-7-3-2-4-8-19)10-14-5-6-15-16(9-14)21-13-20-15/h5-6,9H,2-4,7-8,10-13,18H2,1H3/p+2/t17-/m0/s1