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

Systemtic Name: (S)-(5-chloranyl-2-methoxy-phenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methanamine Openeye Name: (S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(5-chloro-2-methoxy-phenyl)methanamine CAS Name: (S)-(5-chloro-2-methoxyphenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methanamine IUPAC Name: (S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(5-chloro-2-methoxyphenyl)methanamine Traditional Name: [(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(5-chloro-2-methoxy-phenyl)methyl]amine Formula: C18H19ClN3O+ MolecularWeight: 328.81596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=[N+](C=CN2)CC3=CC=CC=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)[C@@H](C2=[N+](C=CN2)CC3=CC=CC=C3)N

InChI

InChI=1S/C18H18ClN3O/c1-23-16-8-7-14(19)11-15(16)17(20)18-21-9-10-22(18)12-13-5-3-2-4-6-13/h2-11,17H,12,20H2,1H3/p+1/t17-/m0/s1