2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C15H18NO2S+ MolecularWeight: 276.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH2+]CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(SC=C1)C[NH2+]CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H17NO2S/c1-11-4-7-19-15(11)10-16-9-12-2-3-13-14(8-12)18-6-5-17-13/h2-4,7-8,16H,5-6,9-10H2,1H3/p+1