2-(2-azanyl-3-hexadecyl-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanol

Systemtic Name: 2-(2-azanyl-3-hexadecyl-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanol Openeye Name: 2-(2-amino-3-hexadecyl-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanol CAS Name: 2-(2-amino-3-hexadecyl-1-benzimidazol-1-iumyl)-1-(3,4-dimethoxyphenyl)ethanol IUPAC Name: 2-(2-amino-3-hexadecylbenzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanol Traditional Name: 2-(2-amino-3-cetyl-benzimidazol-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanol Formula: C33H52N3O3+ MolecularWeight: 538.78428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C33H51N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-35-28-20-17-18-21-29(28)36(33(35)34)26-30(37)27-22-23-31(38-2)32(25-27)39-3/h17-18,20-23,25,30,34,37H,4-16,19,24,26H2,1-3H3/p+1