4-(3-pentyl-1H-benzimidazol-3-ium-2-yl)aniline

Systemtic Name: 4-(3-pentyl-1H-benzimidazol-3-ium-2-yl)aniline Openeye Name: 4-(3-pentyl-1H-benzimidazol-3-ium-2-yl)aniline CAS Name: 4-(3-pentyl-1H-benzimidazol-3-ium-2-yl)aniline IUPAC Name: 4-(3-pentyl-1H-benzimidazol-3-ium-2-yl)aniline Traditional Name: [4-(3-amyl-1H-benzimidazol-3-ium-2-yl)phenyl]amine Formula: C18H22N3+ MolecularWeight: 280.38738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3/c1-2-3-6-13-21-17-8-5-4-7-16(17)20-18(21)14-9-11-15(19)12-10-14/h4-5,7-12H,2-3,6,13H2,1H3,(H2,19,20)/p+1