methanidyl-[2-methoxy-5-(1-oxidanyl-1-oxidanylidene-pent-4-en-2-yl)phenyl]azanium

Systemtic Name: methanidyl-[2-methoxy-5-(1-oxidanyl-1-oxidanylidene-pent-4-en-2-yl)phenyl]azanium Openeye Name: [5-(1-carboxybut-3-enyl)-2-methoxy-phenyl]-methanidyl-ammonium CAS Name: [5-(1-hydroxy-1-oxopent-4-en-2-yl)-2-methoxyphenyl]-methanidylammonium IUPAC Name: [5-(1-hydroxy-1-oxopent-4-en-2-yl)-2-methoxyphenyl]-methanidylazanium Traditional Name: [5-(1-carboxybut-3-enyl)-2-methoxy-phenyl]-methanidyl-ammonium Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC=C)C(=O)O)[NH2+][CH2-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC=C)C(=O)O)[NH2+][CH2-]

InChI

InChI=1S/C13H17NO3/c1-4-5-10(13(15)16)9-6-7-12(17-3)11(8-9)14-2/h4,6-8,10H,1-2,5,14H2,3H3,(H,15,16)