2-[(4-chloranylphenoxy)methyl]-1-[3-(1,1-dimethylpiperidin-1-ium-4-yl)propyl]-4-methyl-benzimidazole

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-1-[3-(1,1-dimethylpiperidin-1-ium-4-yl)propyl]-4-methyl-benzimidazole Openeye Name: 2-[(4-chlorophenoxy)methyl]-1-[3-(1,1-dimethylpiperidin-1-ium-4-yl)propyl]-4-methyl-benzimidazole CAS Name: 2-[(4-chlorophenoxy)methyl]-1-[3-(1,1-dimethyl-4-piperidin-1-iumyl)propyl]-4-methylbenzimidazole IUPAC Name: 2-[(4-chlorophenoxy)methyl]-1-[3-(1,1-dimethylpiperidin-1-ium-4-yl)propyl]-4-methylbenzimidazole Traditional Name: 2-[(4-chlorophenoxy)methyl]-1-[3-(1,1-dimethylpiperidin-1-ium-4-yl)propyl]-4-methyl-benzimidazole Formula: C25H33ClN3O+ MolecularWeight: 427.00202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCC4CC[N+](CC4)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCC4CC[N+](CC4)(C)C

InChI

InChI=1S/C25H33ClN3O/c1-19-6-4-8-23-25(19)27-24(18-30-22-11-9-21(26)10-12-22)28(23)15-5-7-20-13-16-29(2,3)17-14-20/h4,6,8-12,20H,5,7,13-18H2,1-3H3/q+1