2-(1,3-benzodioxol-5-yl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(1S,2S)-2-methoxycyclohexyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(1S,2S)-2-methoxycyclohexyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium Traditional Name: homopiperonyl-[(1S,2S)-2-methoxycyclohexyl]ammonium Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCC1[NH2+]CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CO[C@H]1CCCC[C@@H]1[NH2+]CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H23NO3/c1-18-14-5-3-2-4-13(14)17-9-8-12-6-7-15-16(10-12)20-11-19-15/h6-7,10,13-14,17H,2-5,8-9,11H2,1H3/p+1/t13-,14-/m0/s1