2-[3-(aminomethyl)-3-methyl-4-(pyridin-2-ylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4,5-dimethoxy-phenol

Systemtic Name: 2-[3-(aminomethyl)-3-methyl-4-(pyridin-2-ylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4,5-dimethoxy-phenol Openeye Name: 2-[3-(aminomethyl)-3-methyl-4-(2-pyridylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4,5-dimethoxy-phenol CAS Name: 2-[3-(aminomethyl)-3-methyl-4-(2-pyridinylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4,5-dimethoxyphenol IUPAC Name: 2-[3-(aminomethyl)-3-methyl-4-(pyridin-2-ylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4,5-dimethoxyphenol Traditional Name: 2-[3-(aminomethyl)-3-methyl-4-(2-pyridylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4,5-dimethoxy-phenol Formula: C23H26N3O4+ MolecularWeight: 408.47024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(OC2=CC=CC(=C21)CC3=CC=CC=N3)C4=CC(=C(C=C4O)OC)OC)CN

Isomeric SMILES

C[N+]1(C(OC2=CC=CC(=C21)CC3=CC=CC=N3)C4=CC(=C(C=C4O)OC)OC)CN

InChI

InChI=1S/C23H25N3O4/c1-26(14-24)22-15(11-16-8-4-5-10-25-16)7-6-9-19(22)30-23(26)17-12-20(28-2)21(29-3)13-18(17)27/h4-10,12-13,23H,11,14,24H2,1-3H3/p+1