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

Systemtic Name: carbamimidoyl-methyl-(propylcarbamoyl)-(3,4,5-triacetyloxy-2,6-diethyl-phenyl)azanium Openeye Name: carbamimidoyl-methyl-(propylcarbamoyl)-(3,4,5-triacetoxy-2,6-diethyl-phenyl)ammonium CAS Name: carbamimidoyl-methyl-[oxo(propylamino)methyl]-(3,4,5-triacetyloxy-2,6-diethylphenyl)ammonium IUPAC Name: carbamimidoyl-methyl-(propylcarbamoyl)-(3,4,5-triacetyloxy-2,6-diethylphenyl)azanium Traditional Name: amidino-methyl-(propylcarbamoyl)-(3,4,5-triacetoxy-2,6-diethyl-phenyl)ammonium Formula: C22H33N4O7+ MolecularWeight: 465.52002

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)[N+](C)(C1=C(C(=C(C(=C1CC)OC(=O)C)OC(=O)C)OC(=O)C)CC)C(=N)N

Isomeric SMILES

CCCNC(=O)[N+](C)(C1=C(C(=C(C(=C1CC)OC(=O)C)OC(=O)C)OC(=O)C)CC)C(=N)N

InChI

InChI=1S/C22H32N4O7/c1-8-11-25-22(30)26(7,21(23)24)17-15(9-2)18(31-12(4)27)20(33-14(6)29)19(16(17)10-3)32-13(5)28/h8-11H2,1-7H3,(H3-,23,24,25,30)/p+1