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

Systemtic Name: cyclohexyl-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: cyclohexyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: cyclohexyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-ethylammonium IUPAC Name: cyclohexyl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-ethylazanium Traditional Name: [2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-cyclohexyl-ethyl-ammonium Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)C3CCCCC3

Isomeric SMILES

CC[NH+](CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)C3CCCCC3

InChI

InChI=1S/C23H30N2O3S/c1-3-25(18-13-9-6-10-14-18)15-20(26)24-22-21(23(27)28-4-2)19(16-29-22)17-11-7-5-8-12-17/h5,7-8,11-12,16,18H,3-4,6,9-10,13-15H2,1-2H3,(H,24,26)/p+1