(S)-(5-chloranyl-2-methoxy-phenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine

Systemtic Name: (S)-(5-chloranyl-2-methoxy-phenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine Openeye Name: (S)-(5-chloro-2-methoxy-phenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine CAS Name: (S)-(5-chloro-2-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine IUPAC Name: (S)-(5-chloro-2-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine Traditional Name: [(S)-(5-chloro-2-methoxy-phenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amine Formula: C12H15ClN3O+ MolecularWeight: 252.72

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O/c1-16-6-5-15-12(16)11(14)9-7-8(13)3-4-10(9)17-2/h3-7,11H,14H2,1-2H3/p+1/t11-/m0/s1