3-[2-butyl-1-[(4-hydroxyphenyl)methyl]benzimidazol-1-ium-1-yl]-1,1-dimethyl-urea

Systemtic Name: 3-[2-butyl-1-[(4-hydroxyphenyl)methyl]benzimidazol-1-ium-1-yl]-1,1-dimethyl-urea Openeye Name: 3-[2-butyl-1-[(4-hydroxyphenyl)methyl]benzimidazol-1-ium-1-yl]-1,1-dimethyl-urea CAS Name: 3-[2-butyl-1-[(4-hydroxyphenyl)methyl]-1-benzimidazol-1-iumyl]-1,1-dimethylurea IUPAC Name: 3-[2-butyl-1-[(4-hydroxyphenyl)methyl]benzimidazol-1-ium-1-yl]-1,1-dimethylurea Traditional Name: 3-[2-butyl-1-(4-hydroxybenzyl)benzimidazol-1-ium-1-yl]-1,1-dimethyl-urea Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)O)NC(=O)N(C)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)O)NC(=O)N(C)C

InChI

InChI=1S/C21H26N4O2/c1-4-5-10-20-22-18-8-6-7-9-19(18)25(20,23-21(27)24(2)3)15-16-11-13-17(26)14-12-16/h6-9,11-14H,4-5,10,15H2,1-3H3,(H-,23,26,27)/p+1