1-[2-[2-(azepan-1-ium-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea

Systemtic Name: 1-[2-[2-(azepan-1-ium-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea Openeye Name: 1-[2-[2-(azepan-1-ium-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea CAS Name: 1-[2-[2-(1-azepan-1-iumyl)ethyl]-1-methyl-5-benzimidazolyl]-3-phenylurea IUPAC Name: 1-[2-[2-(azepan-1-ium-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-phenylurea Traditional Name: 1-[2-[2-(azepan-1-ium-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)N=C1CC[NH+]4CCCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)N=C1CC[NH+]4CCCCCC4

InChI

InChI=1S/C23H29N5O/c1-27-21-12-11-19(25-23(29)24-18-9-5-4-6-10-18)17-20(21)26-22(27)13-16-28-14-7-2-3-8-15-28/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3,(H2,24,25,29)/p+1