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

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-1-methyl-benzimidazole Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-1-methyl-benzimidazole CAS Name: 2-(1-azepan-1-iumylmethyl)-1-methylbenzimidazole IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-1-methylbenzimidazole Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-1-methyl-benzimidazole Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH+]3CCCCCC3

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH+]3CCCCCC3

InChI

InChI=1S/C15H21N3/c1-17-14-9-5-4-8-13(14)16-15(17)12-18-10-6-2-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3/p+1