1,3-benzodioxol-5-ylmethyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21N3O3/c1-17(10-18,13-4-5-13)19-16(21)9-20(2)8-12-3-6-14-15(7-12)23-11-22-14/h3,6-7,13H,4-5,8-9,11H2,1-2H3,(H,19,21)/p+1/t17-/m0/s1