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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-ethyl-(2-thenyl)ammonium Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H18N2O3S/c1-2-18(9-13-4-3-7-22-13)10-16(19)17-12-5-6-14-15(8-12)21-11-20-14/h3-8H,2,9-11H2,1H3,(H,17,19)/p+1