[4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-2-methyl-5-phenylmethoxycarbonyl-phenyl]carbonyl-dimethyl-propyl-azanium

Systemtic Name: [4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-2-methyl-5-phenylmethoxycarbonyl-phenyl]carbonyl-dimethyl-propyl-azanium Openeye Name: [5-benzyloxycarbonyl-4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-2-methyl-benzoyl]-dimethyl-propyl-ammonium CAS Name: [[4-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-2-methyl-5-phenylmethoxycarbonylphenyl]-oxomethyl]-dimethyl-propylammonium IUPAC Name: [4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-2-methyl-5-phenylmethoxycarbonylbenzoyl]-dimethyl-propylazanium Traditional Name: [4-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-carbobenzoxy-2-methyl-benzoyl]-dimethyl-propyl-ammonium Formula: C35H38N5O5+ MolecularWeight: 608.70672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C(=O)C1=C(C=C(C(=C1)C(=O)OCC2=CC=CC=C2)C3=C(N=C(C=C3)OC)C(=O)NC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCC[N+](C)(C)C(=O)C1=C(C=C(C(=C1)C(=O)OCC2=CC=CC=C2)C3=C(N=C(C=C3)OC)C(=O)NC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C35H37N5O5/c1-6-18-40(3,4)34(42)27-20-29(35(43)45-21-23-10-8-7-9-11-23)28(19-22(27)2)26-16-17-30(44-5)39-31(26)33(41)38-25-14-12-24(13-15-25)32(36)37/h7-17,19-20H,6,18,21H2,1-5H3,(H3-,36,37,38,41)/p+1