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

Systemtic Name: [2-[(3-methoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ylpropyl)azanium Openeye Name: [2-[(3-methoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-(3-morpholinopropyl)ammonium CAS Name: [2-[(3-methoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [2-[(3-methoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-(3-morpholin-4-ylpropyl)azanium Traditional Name: [2-[(3-carbomethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-(3-morpholinopropyl)ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH2+]CCCN3CCOCC3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH2+]CCCN3CCOCC3

InChI

InChI=1S/C21H27N3O4S/c1-27-21(26)19-17(16-6-3-2-4-7-16)15-29-20(19)23-18(25)14-22-8-5-9-24-10-12-28-13-11-24/h2-4,6-7,15,22H,5,8-14H2,1H3,(H,23,25)/p+1