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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-13(18(23)21-19(24)20-15-6-4-3-5-7-15)22(2)11-14-8-9-16-17(10-14)26-12-25-16/h8-10,13,15H,3-7,11-12H2,1-2H3,(H2,20,21,23,24)/p+1/t13-/m1/s1