[6-[(4-ethoxycarbonyl-3-oxidanyl-phenyl)methylamino]-6-oxidanylidene-hexyl]azanium

Systemtic Name: [6-[(4-ethoxycarbonyl-3-oxidanyl-phenyl)methylamino]-6-oxidanylidene-hexyl]azanium Openeye Name: [6-[(4-ethoxycarbonyl-3-hydroxy-phenyl)methylamino]-6-oxo-hexyl]ammonium CAS Name: [6-[(4-ethoxycarbonyl-3-hydroxyphenyl)methylamino]-6-oxohexyl]ammonium IUPAC Name: [6-[(4-ethoxycarbonyl-3-hydroxyphenyl)methylamino]-6-oxohexyl]azanium Traditional Name: [6-[(4-carbethoxy-3-hydroxy-benzyl)amino]-6-keto-hexyl]ammonium Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-2-22-16(21)13-8-7-12(10-14(13)19)11-18-15(20)6-4-3-5-9-17/h7-8,10,19H,2-6,9,11,17H2,1H3,(H,18,20)/p+1