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

Systemtic Name: [1-[3-(2-carbamimidoyl-4-ethoxycarbonyl-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-oxidanylidene-ethyl)-sulfonyl-azanium Openeye Name: [1-[3-(2-carbamimidoyl-4-ethoxycarbonyl-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-oxo-ethyl)-sulfonyl-ammonium CAS Name: [1-[3-(2-carbamimidoyl-4-ethoxycarbonylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-oxoethyl)-sulfonylammonium IUPAC Name: [1-[3-(2-carbamimidoyl-4-ethoxycarbonylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-oxoethyl)-sulfonylazanium Traditional Name: [1-[3-(2-amidino-4-carbethoxy-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(2-ethoxy-2-keto-ethyl)-sulfonyl-ammonium Formula: C26H31N4O7S+ MolecularWeight: 543.61194

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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=C(C=C(C=C3)C(=O)OCC)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C26H31N4O7S/c1-3-36-24(32)16-30(38(34)35)20-10-11-22-18(14-20)6-5-13-29(22)23(31)12-9-17-7-8-19(26(33)37-4-2)15-21(17)25(27)28/h7-8,10-11,14-15H,3-6,9,12-13,16H2,1-2H3,(H3,27,28)/q+1