1,3-benzodioxol-5-ylmethyl-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]-piperonyl-ammonium Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H24N2O3/c1-12(17(20)19-14-5-3-2-4-6-14)18-10-13-7-8-15-16(9-13)22-11-21-15/h7-9,12,14,18H,2-6,10-11H2,1H3,(H,19,20)/p+1/t12-/m1/s1