N-[(2,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-amine

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-amine Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-amine CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-3-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-amine Traditional Name: (2,5-dimethoxybenzyl)-[3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]amine Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC2=[N+](C3=CC=CC=C3N2)CCN4CCOCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC2=[N+](C3=CC=CC=C3N2)CCN4CCOCC4

InChI

InChI=1S/C22H28N4O3/c1-27-18-7-8-21(28-2)17(15-18)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