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

Systemtic Name: 1-(2-methylpropyl)-3-(3-phenoxypropyl)benzimidazol-1-ium-2-amine Openeye Name: 1-isobutyl-3-(3-phenoxypropyl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-methylpropyl)-3-(3-phenoxypropyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-methylpropyl)-3-(3-phenoxypropyl)benzimidazol-1-ium-2-amine Traditional Name: [1-isobutyl-3-(3-phenoxypropyl)benzimidazol-1-ium-2-yl]amine Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O/c1-16(2)15-23-19-12-7-6-11-18(19)22(20(23)21)13-8-14-24-17-9-4-3-5-10-17/h3-7,9-12,16,21H,8,13-15H2,1-2H3/p+1