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

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazole Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazole CAS Name: 2-(1-azepan-1-iumylmethyl)-1-ethylbenzimidazole IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-1-ethylbenzimidazole Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazole Formula: C16H24N3+ MolecularWeight: 258.38186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C[NH+]3CCCCCC3

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C[NH+]3CCCCCC3

InChI

InChI=1S/C16H23N3/c1-2-19-15-10-6-5-9-14(15)17-16(19)13-18-11-7-3-4-8-12-18/h5-6,9-10H,2-4,7-8,11-13H2,1H3/p+1