N-[(2,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-2-benzimidazolamine IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine Traditional Name: (2,4-dimethoxybenzyl)-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]amine Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4)OC

InChI

InChI=1S/C22H28N4O3/c1-27-18-8-7-17(21(15-18)28-2)16-23-22-24-19-5-3-4-6-20(19)26(22)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14,16H2,1-2H3,(H,23,24)/p+1