cyclooctyl-[2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl]azanium Traditional Name: [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH2+]C3CCCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH2+]C3CCCCCCC3

InChI

InChI=1S/C23H30N2O3S/c1-2-28-23(27)22-19(15-20(29-22)17-11-7-6-8-12-17)25-21(26)16-24-18-13-9-4-3-5-10-14-18/h6-8,11-12,15,18,24H,2-5,9-10,13-14,16H2,1H3,(H,25,26)/p+1