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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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