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

Systemtic Name: 3-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-(2-morpholinoethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[2-(4-morpholinyl)ethyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]-(3,4,5-trimethoxybenzyl)amine Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=[N+](C3=CC=CC=C3N2)CCN4CCOCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=[N+](C3=CC=CC=C3N2)CCN4CCOCC4

InChI

InChI=1S/C23H30N4O4/c1-28-20-14-17(15-21(29-2)22(20)30-3)16-24-23-25-18-6-4-5-7-19(18)27(23)9-8-26-10-12-31-13-11-26/h4-7,14-15H,8-13,16H2,1-3H3,(H,24,25)/p+1