1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-nitro-propan-2-amine hydrochloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-nitro-propan-2-amine hydrochloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-nitro-propan-2-amine hydrochloride CAS Name: 1-(1,3-benzodioxol-5-ylmethylthio)-3-nitro-2-propanamine hydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-nitropropan-2-amine hydrochloride Traditional Name: [1-(nitromethyl)-2-(piperonylthio)ethyl]amine hydrochloride Formula: C11H15ClN2O4S MolecularWeight: 306.7658

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSCC(C[N+](=O)[O-])N.Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSCC(C[N+](=O)[O-])N.Cl

InChI

InChI=1S/C11H14N2O4S.ClH/c12-9(4-13(14)15)6-18-5-8-1-2-10-11(3-8)17-7-16-10;/h1-3,9H,4-7,12H2;1H