[2-[5-methoxy-2-(methoxymethoxy)phenyl]-3-methyl-4-(pyridin-2-ylmethyl)-2H-1,3-benzoxazol-3-ium-3-yl]methanamine

Systemtic Name: [2-[5-methoxy-2-(methoxymethoxy)phenyl]-3-methyl-4-(pyridin-2-ylmethyl)-2H-1,3-benzoxazol-3-ium-3-yl]methanamine Openeye Name: [2-[5-methoxy-2-(methoxymethoxy)phenyl]-3-methyl-4-(2-pyridylmethyl)-2H-1,3-benzoxazol-3-ium-3-yl]methanamine CAS Name: [2-[5-methoxy-2-(methoxymethoxy)phenyl]-3-methyl-4-(2-pyridinylmethyl)-2H-1,3-benzoxazol-3-ium-3-yl]methanamine IUPAC Name: [2-[5-methoxy-2-(methoxymethoxy)phenyl]-3-methyl-4-(pyridin-2-ylmethyl)-2H-1,3-benzoxazol-3-ium-3-yl]methanamine Traditional Name: [2-[5-methoxy-2-(methoxymethoxy)phenyl]-3-methyl-4-(2-pyridylmethyl)-2H-1,3-benzoxazol-3-ium-3-yl]methylamine Formula: C24H28N3O4+ MolecularWeight: 422.49682

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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)OCOC)CN

Isomeric SMILES

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

InChI

InChI=1S/C24H28N3O4/c1-27(15-25)23-17(13-18-8-4-5-12-26-18)7-6-9-22(23)31-24(27)20-14-19(29-3)10-11-21(20)30-16-28-2/h4-12,14,24H,13,15-16,25H2,1-3H3/q+1