[6-[[4-methoxycarbonyl-3,5-bis(oxidanyl)phenyl]methylamino]-6-oxidanylidene-hexyl]azanium

Systemtic Name: [6-[[4-methoxycarbonyl-3,5-bis(oxidanyl)phenyl]methylamino]-6-oxidanylidene-hexyl]azanium Openeye Name: [6-[(3,5-dihydroxy-4-methoxycarbonyl-phenyl)methylamino]-6-oxo-hexyl]ammonium CAS Name: [6-[(3,5-dihydroxy-4-methoxycarbonylphenyl)methylamino]-6-oxohexyl]ammonium IUPAC Name: [6-[(3,5-dihydroxy-4-methoxycarbonylphenyl)methylamino]-6-oxohexyl]azanium Traditional Name: [6-[(4-carbomethoxy-3,5-dihydroxy-benzyl)amino]-6-keto-hexyl]ammonium Formula: C15H23N2O5+ MolecularWeight: 311.35352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1O)CNC(=O)CCCCC[NH3+])O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1O)CNC(=O)CCCCC[NH3+])O

InChI

InChI=1S/C15H22N2O5/c1-22-15(21)14-11(18)7-10(8-12(14)19)9-17-13(20)5-3-2-4-6-16/h7-8,18-19H,2-6,9,16H2,1H3,(H,17,20)/p+1