[2-[(5-chloranyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [2-[(5-chloranyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(3-oxidanylpropyl)azanium Openeye Name: [2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-(3-hydroxypropyl)ammonium CAS Name: [2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-(3-hydroxypropyl)ammonium IUPAC Name: [2-[(5-chloro-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-(3-hydroxypropyl)azanium Traditional Name: [2-[(3-carbethoxy-5-chloro-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-(3-hydroxypropyl)ammonium Formula: C18H22ClN2O4S+ MolecularWeight: 397.89628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)C[NH2+]CCCO

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)C[NH2+]CCCO

InChI

InChI=1S/C18H21ClN2O4S/c1-2-25-18(24)15-14(12-7-4-3-5-8-12)16(19)26-17(15)21-13(23)11-20-9-6-10-22/h3-5,7-8,20,22H,2,6,9-11H2,1H3,(H,21,23)/p+1