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

Systemtic Name: cyclohexyl-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclohexyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: cyclohexyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]ammonium IUPAC Name: cyclohexyl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: [2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-cyclohexyl-ammonium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH2+]C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH2+]C3CCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-2-26-21(25)19-17(15-9-5-3-6-10-15)14-27-20(19)23-18(24)13-22-16-11-7-4-8-12-16/h3,5-6,9-10,14,16,22H,2,4,7-8,11-13H2,1H3,(H,23,24)/p+1