1,3-benzodioxol-5-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-piperonyl-ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H25NO2/c1-4-12(3)8-14(5-2)17-10-13-6-7-15-16(9-13)19-11-18-15/h6-7,9,12,14,17H,4-5,8,10-11H2,1-3H3/p+1/t12-,14-/m0/s1