[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-oxidanylidene-ethyl)-sulfonyl-azanium

Systemtic Name: [1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-oxidanylidene-ethyl)-sulfonyl-azanium Openeye Name: [1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-oxo-ethyl)-sulfonyl-ammonium CAS Name: [1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-oxoethyl)-sulfonylammonium IUPAC Name: [1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-oxoethyl)-sulfonylazanium Traditional Name: [1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-keto-ethyl)-sulfonyl-ammonium Formula: C23H27N4O5S+ MolecularWeight: 471.54928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+](=S(=O)=O)C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C[N+](=S(=O)=O)C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H27N4O5S/c1-2-32-22(29)15-27(33(30)31)19-10-11-20-18(14-19)4-3-13-26(20)21(28)12-7-16-5-8-17(9-6-16)23(24)25/h5-6,8-11,14H,2-4,7,12-13,15H2,1H3,(H3,24,25)/q+1