4-(5,6-dimethoxy-3-propyl-1H-benzimidazol-3-ium-2-yl)aniline

Systemtic Name: 4-(5,6-dimethoxy-3-propyl-1H-benzimidazol-3-ium-2-yl)aniline Openeye Name: 4-(5,6-dimethoxy-3-propyl-1H-benzimidazol-3-ium-2-yl)aniline CAS Name: 4-(5,6-dimethoxy-3-propyl-1H-benzimidazol-3-ium-2-yl)aniline IUPAC Name: 4-(5,6-dimethoxy-3-propyl-1H-benzimidazol-3-ium-2-yl)aniline Traditional Name: [4-(5,6-dimethoxy-3-propyl-1H-benzimidazol-3-ium-2-yl)phenyl]amine Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)N

Isomeric SMILES

CCC[N+]1=C(NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H21N3O2/c1-4-9-21-15-11-17(23-3)16(22-2)10-14(15)20-18(21)12-5-7-13(19)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H2,19,20)/p+1