[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C17H19N2O4S+ MolecularWeight: 347.40876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=CSC=C3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=CSC=C3)OCO2

InChI

InChI=1S/C17H18N2O4S/c1-11(20)13-5-15-16(23-10-22-15)6-14(13)18-17(21)8-19(2)7-12-3-4-24-9-12/h3-6,9H,7-8,10H2,1-2H3,(H,18,21)/p+1