N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1,3-benzoxazol-2-amine

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1,3-benzoxazol-2-amine Openeye Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1,3-benzoxazol-2-amine CAS Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1,3-benzoxazol-2-amine IUPAC Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1,3-benzoxazol-2-amine Traditional Name: 1,3-benzoxazol-2-yl-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amine Formula: C19H19N4O2+ MolecularWeight: 335.37976

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC(=CC=C2)OC)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC(=CC=C2)OC)NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H18N4O2/c1-23-11-10-20-18(23)17(13-6-5-7-14(12-13)24-2)22-19-21-15-8-3-4-9-16(15)25-19/h3-12,17H,1-2H3,(H,21,22)/p+1/t17-/m0/s1