[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-(3-oxidanylpropyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-(3-hydroxypropyl)ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-(3-hydroxypropyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-(3-hydroxypropyl)azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-(3-hydroxypropyl)ammonium Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C[NH2+]CCCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C[NH2+]CCCO

InChI

InChI=1S/C12H16N2O4/c15-5-1-4-13-7-12(16)14-9-2-3-10-11(6-9)18-8-17-10/h2-3,6,13,15H,1,4-5,7-8H2,(H,14,16)/p+1