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

Systemtic Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ium-1-yl-propyl]azanium Openeye Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ium-1-yl-propyl]ammonium CAS Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ium-1-ylpropyl]azanium Traditional Name: [(2S)-2-methyl-2-piperonyl-3-pyrrolidin-1-ium-1-yl-propyl]ammonium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)(C[NH3+])C[NH+]3CCCC3

Isomeric SMILES

C[C@](CC1=CC2=C(C=C1)OCO2)(C[NH3+])C[NH+]3CCCC3

InChI

InChI=1S/C16H24N2O2/c1-16(10-17,11-18-6-2-3-7-18)9-13-4-5-14-15(8-13)20-12-19-14/h4-5,8H,2-3,6-7,9-12,17H2,1H3/p+2/t16-/m0/s1