(4S)-2-azanyl-4-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3-methyl-1,4-dihydroimidazol-3-ium-5-one

Systemtic Name: (4S)-2-azanyl-4-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3-methyl-1,4-dihydroimidazol-3-ium-5-one Openeye Name: (4S)-2-amino-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-methyl-1,4-dihydroimidazol-3-ium-5-one CAS Name: (4S)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1,4-dihydroimidazol-3-ium-5-one IUPAC Name: (4S)-2-amino-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1,4-dihydroimidazol-3-ium-5-one Traditional Name: (5S)-2-amino-1-methyl-5-vanillyl-2-imidazolin-1-ium-4-one Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1CC2=CC(=C(C=C2)O)OC)N

Isomeric SMILES

C[N+]1=C(NC(=O)[C@@H]1CC2=CC(=C(C=C2)O)OC)N

InChI

InChI=1S/C12H15N3O3/c1-15-8(11(17)14-12(15)13)5-7-3-4-9(16)10(6-7)18-2/h3-4,6,8H,5H2,1-2H3,(H3,13,14,16,17)/p+1/t8-/m0/s1