(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine

Systemtic Name: (S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine Openeye Name: (S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine CAS Name: (S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine IUPAC Name: (S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine Traditional Name: [(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amine Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC(=CC(=C2)OC)OC)N

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC(=CC(=C2)OC)OC)N

InChI

InChI=1S/C13H17N3O2/c1-16-5-4-15-13(16)12(14)9-6-10(17-2)8-11(7-9)18-3/h4-8,12H,14H2,1-3H3/p+1/t12-/m0/s1