[4-[2-[(4-carbamimidoyl-3-fluoranyl-phenyl)carbamoyl]-6-methyl-pyridin-3-yl]-3-carboxy-phenyl]carbonyl-dimethyl-propyl-azanium

Systemtic Name: [4-[2-[(4-carbamimidoyl-3-fluoranyl-phenyl)carbamoyl]-6-methyl-pyridin-3-yl]-3-carboxy-phenyl]carbonyl-dimethyl-propyl-azanium Openeye Name: [4-[2-[(4-carbamimidoyl-3-fluoro-phenyl)carbamoyl]-6-methyl-3-pyridyl]-3-carboxy-benzoyl]-dimethyl-propyl-ammonium CAS Name: [[4-[2-[(4-carbamimidoyl-3-fluoroanilino)-oxomethyl]-6-methyl-3-pyridinyl]-3-carboxyphenyl]-oxomethyl]-dimethyl-propylammonium IUPAC Name: [4-[2-[(4-carbamimidoyl-3-fluorophenyl)carbamoyl]-6-methylpyridin-3-yl]-3-carboxybenzoyl]-dimethyl-propylazanium Traditional Name: [4-[2-[(4-amidino-3-fluoro-phenyl)carbamoyl]-6-methyl-3-pyridyl]-3-carboxy-benzoyl]-dimethyl-propyl-ammonium Formula: C27H29FN5O4+ MolecularWeight: 506.548663

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)C)C(=O)NC3=CC(=C(C=C3)C(=N)N)F)C(=O)O

Isomeric SMILES

CCC[N+](C)(C)C(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)C)C(=O)NC3=CC(=C(C=C3)C(=N)N)F)C(=O)O

InChI

InChI=1S/C27H28FN5O4/c1-5-12-33(3,4)26(35)16-7-10-18(21(13-16)27(36)37)19-9-6-15(2)31-23(19)25(34)32-17-8-11-20(24(29)30)22(28)14-17/h6-11,13-14H,5,12H2,1-4H3,(H4-,29,30,32,34,36,37)/p+1