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

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-ylmethyl)-ethyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl]-ethylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-ethylazanium Traditional Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl]-ethyl-piperonyl-ammonium Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-2-20(8-11-3-4-13-14(7-11)24-10-23-13)9-15(21)19-17-12(16(18)22)5-6-25-17/h3-7H,2,8-10H2,1H3,(H2,18,22)(H,19,21)/p+1