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

Systemtic Name: [1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(carboxymethyl)-sulfonyl-azanium Openeye Name: [1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(carboxymethyl)-sulfonyl-ammonium CAS Name: [1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(carboxymethyl)-sulfonylammonium IUPAC Name: [1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(carboxymethyl)-sulfonylazanium Traditional Name: [1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(carboxymethyl)-sulfonyl-ammonium Formula: C21H23N4O5S+ MolecularWeight: 443.49612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=S(=O)=O)CC(=O)O)N(C1)C(=O)CCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=S(=O)=O)CC(=O)O)N(C1)C(=O)CCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O5S/c22-21(23)15-6-3-14(4-7-15)5-10-19(26)24-11-1-2-16-12-17(8-9-18(16)24)25(31(29)30)13-20(27)28/h3-4,6-9,12H,1-2,5,10-11,13H2,(H3-,22,23,27,28)/p+1