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

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C16H18N3O4S+ MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C16H17N3O4S/c1-19(7-10-2-3-12-13(6-10)23-9-22-12)8-14(20)18-16-11(15(17)21)4-5-24-16/h2-6H,7-9H2,1H3,(H2,17,21)(H,18,20)/p+1