[3-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]-[2-(2-hydroxyethyloxy)ethyl]azanium

Systemtic Name: [3-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]-[2-(2-hydroxyethyloxy)ethyl]azanium Openeye Name: [3-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)amino]-3-oxo-propyl]-[2-(2-hydroxyethoxy)ethyl]ammonium CAS Name: [3-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-3-oxopropyl]-[2-(2-hydroxyethoxy)ethyl]ammonium IUPAC Name: [3-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-3-oxopropyl]-[2-(2-hydroxyethoxy)ethyl]azanium Traditional Name: [3-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)amino]-3-keto-propyl]-[2-(2-hydroxyethoxy)ethyl]ammonium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-3-28-21(26)19-18(16-7-5-4-6-8-16)15(2)29-20(19)23-17(25)9-10-22-11-13-27-14-12-24/h4-8,22,24H,3,9-14H2,1-2H3,(H,23,25)/p+1