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

Systemtic Name: 3-(2-diethylaminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-(2-diethylaminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine CAS Name: 3-(2-diethylaminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-(2-diethylaminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine Traditional Name: 2-[2-[(2,5-dimethoxybenzyl)amino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-amine Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCN(CC)CC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H30N4O2/c1-5-25(6-2)13-14-26-20-10-8-7-9-19(20)24-22(26)23-16-17-15-18(27-3)11-12-21(17)28-4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,23,24)/p+1