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

Systemtic Name: carbamimidoyl-(3,4-diacetyloxy-2-chloranyl-6-methyl-phenyl)-methyl-(propylcarbamoyl)azanium Openeye Name: carbamimidoyl-(3,4-diacetoxy-2-chloro-6-methyl-phenyl)-methyl-(propylcarbamoyl)ammonium CAS Name: carbamimidoyl-(3,4-diacetyloxy-2-chloro-6-methylphenyl)-methyl-[oxo(propylamino)methyl]ammonium IUPAC Name: carbamimidoyl-(3,4-diacetyloxy-2-chloro-6-methylphenyl)-methyl-(propylcarbamoyl)azanium Traditional Name: amidino-(3,4-diacetoxy-2-chloro-6-methyl-phenyl)-methyl-(propylcarbamoyl)ammonium Formula: C17H24ClN4O5+ MolecularWeight: 399.84926

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)[N+](C)(C1=C(C(=C(C=C1C)OC(=O)C)OC(=O)C)Cl)C(=N)N

Isomeric SMILES

CCCNC(=O)[N+](C)(C1=C(C(=C(C=C1C)OC(=O)C)OC(=O)C)Cl)C(=N)N

InChI

InChI=1S/C17H23ClN4O5/c1-6-7-21-17(25)22(5,16(19)20)14-9(2)8-12(26-10(3)23)15(13(14)18)27-11(4)24/h8H,6-7H2,1-5H3,(H3-,19,20,21,25)/p+1