[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C22H31N3O4S+2 MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH2+]CCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH2+]CCC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O4S/c1-2-29-22(27)20-18(17-7-4-3-5-8-17)16-30-21(20)24-19(26)15-23-9-6-10-25-11-13-28-14-12-25/h3-5,7-8,16,23H,2,6,9-15H2,1H3,(H,24,26)/p+2