2-(azepan-1-ium-1-ylmethyl)-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-1-(phenylmethyl)benzimidazole Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-1-benzyl-benzimidazole CAS Name: 2-(1-azepan-1-iumylmethyl)-1-(phenylmethyl)benzimidazole IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-1-benzylbenzimidazole Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-1-benzyl-benzimidazole Formula: C21H26N3+ MolecularWeight: 320.45124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3/c1-2-9-15-23(14-8-1)17-21-22-19-12-6-7-13-20(19)24(21)16-18-10-4-3-5-11-18/h3-7,10-13H,1-2,8-9,14-17H2/p+1