carbamimidoyl-methyl-(propylcarbamoyl)-(3,4,5-triacetyloxy-2-chloranyl-6-methyl-phenyl)azanium

Systemtic Name: carbamimidoyl-methyl-(propylcarbamoyl)-(3,4,5-triacetyloxy-2-chloranyl-6-methyl-phenyl)azanium Openeye Name: carbamimidoyl-methyl-(propylcarbamoyl)-(3,4,5-triacetoxy-2-chloro-6-methyl-phenyl)ammonium CAS Name: carbamimidoyl-methyl-[oxo(propylamino)methyl]-(3,4,5-triacetyloxy-2-chloro-6-methylphenyl)ammonium IUPAC Name: carbamimidoyl-methyl-(propylcarbamoyl)-(3,4,5-triacetyloxy-2-chloro-6-methylphenyl)azanium Traditional Name: amidino-methyl-(propylcarbamoyl)-(3,4,5-triacetoxy-2-chloro-6-methyl-phenyl)ammonium Formula: C19H26ClN4O7+ MolecularWeight: 457.88534

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)[N+](C)(C1=C(C(=C(C(=C1Cl)OC(=O)C)OC(=O)C)OC(=O)C)C)C(=N)N

Isomeric SMILES

CCCNC(=O)[N+](C)(C1=C(C(=C(C(=C1Cl)OC(=O)C)OC(=O)C)OC(=O)C)C)C(=N)N

InChI

InChI=1S/C19H25ClN4O7/c1-7-8-23-19(28)24(6,18(21)22)14-9(2)15(29-10(3)25)17(31-12(5)27)16(13(14)20)30-11(4)26/h7-8H2,1-6H3,(H3-,21,22,23,28)/p+1