[3-[(3-aminocarbonylthiophen-2-yl)amino]-3-oxidanylidene-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium

Systemtic Name: [3-[(3-aminocarbonylthiophen-2-yl)amino]-3-oxidanylidene-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium Openeye Name: [3-[(3-carbamoyl-2-thienyl)amino]-3-oxo-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: [3-[(3-carbamoyl-2-thiophenyl)amino]-3-oxopropyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: [3-[(3-carbamoylthiophen-2-yl)amino]-3-oxopropyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [3-[(3-carbamoyl-2-thienyl)amino]-3-keto-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H21N3O4S/c1-21(11-12-2-3-14-15(10-12)25-8-7-24-14)6-4-16(22)20-18-13(17(19)23)5-9-26-18/h2-3,5,9-10H,4,6-8,11H2,1H3,(H2,19,23)(H,20,22)/p+1