1-methyl-3-(3-phenoxypropyl)benzimidazol-1-ium-2-amine

Systemtic Name: 1-methyl-3-(3-phenoxypropyl)benzimidazol-1-ium-2-amine Openeye Name: 1-methyl-3-(3-phenoxypropyl)benzimidazol-1-ium-2-amine CAS Name: 1-methyl-3-(3-phenoxypropyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-methyl-3-(3-phenoxypropyl)benzimidazol-1-ium-2-amine Traditional Name: [1-methyl-3-(3-phenoxypropyl)benzimidazol-1-ium-2-yl]amine Formula: C17H20N3O+ MolecularWeight: 282.3602

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CCCOC3=CC=CC=C3)N

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CCCOC3=CC=CC=C3)N

InChI

InChI=1S/C17H19N3O/c1-19-15-10-5-6-11-16(15)20(17(19)18)12-7-13-21-14-8-3-2-4-9-14/h2-6,8-11,18H,7,12-13H2,1H3/p+1