[4-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-pyridin-3-yl]-3-phenylmethoxycarbonyl-phenyl]carbonyl-dimethyl-propyl-azanium

Systemtic Name: [4-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-pyridin-3-yl]-3-phenylmethoxycarbonyl-phenyl]carbonyl-dimethyl-propyl-azanium Openeye Name: [3-benzyloxycarbonyl-4-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-3-pyridyl]benzoyl]-dimethyl-propyl-ammonium CAS Name: [[4-[2-[(4-carbamimidoylanilino)-oxomethyl]-5-methyl-3-pyridinyl]-3-phenylmethoxycarbonylphenyl]-oxomethyl]-dimethyl-propylammonium IUPAC Name: [4-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methylpyridin-3-yl]-3-phenylmethoxycarbonylbenzoyl]-dimethyl-propylazanium Traditional Name: [4-[2-[(4-amidinophenyl)carbamoyl]-5-methyl-3-pyridyl]-3-carbobenzoxy-benzoyl]-dimethyl-propyl-ammonium Formula: C34H36N5O4+ MolecularWeight: 578.68074

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C(=O)C1=CC(=C(C=C1)C2=CC(=CN=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC[N+](C)(C)C(=O)C1=CC(=C(C=C1)C2=CC(=CN=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C34H35N5O4/c1-5-17-39(3,4)33(41)25-13-16-27(29(19-25)34(42)43-21-23-9-7-6-8-10-23)28-18-22(2)20-37-30(28)32(40)38-26-14-11-24(12-15-26)31(35)36/h6-16,18-20H,5,17,21H2,1-4H3,(H3-,35,36,38,40)/p+1