2-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]benzimidazole IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole Traditional Name: 1-(2-piperidin-1-ium-1-ylethyl)-2-veratryl-benzimidazole Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)OC

InChI

InChI=1S/C23H29N3O2/c1-27-21-11-10-18(16-22(21)28-2)17-23-24-19-8-4-5-9-20(19)26(23)15-14-25-12-6-3-7-13-25/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3/p+1