1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]azepan-1-ium

Systemtic Name: 1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]azepan-1-ium Openeye Name: 1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]azepan-1-ium CAS Name: 1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]azepan-1-ium IUPAC Name: 1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]azepan-1-ium Traditional Name: 1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]azepan-1-ium Formula: C22H26N3+ MolecularWeight: 332.46194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3/c1-2-10-16-25(15-9-1)17-20-23-21(18-11-5-3-6-12-18)22(24-20)19-13-7-4-8-14-19/h3-8,11-14H,1-2,9-10,15-17H2,(H,23,24)/p+1