[2-[1,3-benzodioxol-5-ylmethyl-[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl-[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl-[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[1,3-benzodioxol-5-ylmethyl-[(2R)-butan-2-yl]amino]-2-oxoethyl]ammonium IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl-[(2R)-butan-2-yl]amino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[[(1R)-1-methylpropyl]-piperonyl-amino]ethyl]ammonium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH3+]

Isomeric SMILES

CC[C@@H](C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH3+]

InChI

InChI=1S/C14H20N2O3/c1-3-10(2)16(14(17)7-15)8-11-4-5-12-13(6-11)19-9-18-12/h4-6,10H,3,7-9,15H2,1-2H3/p+1/t10-/m1/s1