[2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[(3-carbethoxy-4-cyclopropyl-2-thienyl)amino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+](C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+](C)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-3-26-21(25)19-17(15-9-10-15)14-28-20(19)22-18(24)13-23(2)11-12-27-16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,24)/p+1