(7-methoxy-1,3-benzodioxol-5-yl)methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium

Systemtic Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Openeye Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]ammonium CAS Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[2-[(1-methyl-2-imidazolyl)thio]ethyl]ammonium IUPAC Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Traditional Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[2-[(1-methylimidazol-2-yl)thio]ethyl]ammonium Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC[NH2+]CC2=CC3=C(C(=C2)OC)OCO3

Isomeric SMILES

CN1C=CN=C1SCC[NH2+]CC2=CC3=C(C(=C2)OC)OCO3

InChI

InChI=1S/C15H19N3O3S/c1-18-5-3-17-15(18)22-6-4-16-9-11-7-12(19-2)14-13(8-11)20-10-21-14/h3,5,7-8,16H,4,6,9-10H2,1-2H3/p+1