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

Systemtic Name: 2-[3-(aminomethyl)-3-methyl-4-(pyridin-2-ylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4-methoxy-phenol Openeye Name: 2-[3-(aminomethyl)-3-methyl-4-(2-pyridylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4-methoxy-phenol CAS Name: 2-[3-(aminomethyl)-3-methyl-4-(2-pyridinylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4-methoxyphenol IUPAC Name: 2-[3-(aminomethyl)-3-methyl-4-(pyridin-2-ylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4-methoxyphenol Traditional Name: 2-[3-(aminomethyl)-3-methyl-4-(2-pyridylmethyl)-2H-1,3-benzoxazol-3-ium-2-yl]-4-methoxy-phenol Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-25(14-23)21-15(12-16-7-3-4-11-24-16)6-5-8-20(21)28-22(25)18-13-17(27-2)9-10-19(18)26/h3-11,13,22H,12,14,23H2,1-2H3/p+1