4-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]-N-propyl-benzamide bromide

Systemtic Name: 4-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]-N-propyl-benzamide bromide Openeye Name: 4-[[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]methyl]-N-propyl-benzamide bromide CAS Name: 4-[[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]methyl]-N-propylbenzamide bromide IUPAC Name: 4-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]-N-propylbenzamide bromide Traditional Name: 4-[[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]methyl]-N-propyl-benzamide bromide Formula: C26H26BrN3O3 MolecularWeight: 508.40694

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=NC=C(O3)C4=CC=C(C=C4)OC.[Br-]

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=NC=C(O3)C4=CC=C(C=C4)OC.[Br-]

InChI

InChI=1S/C26H25N3O3.BrH/c1-3-14-27-25(30)21-6-4-19(5-7-21)18-29-15-12-22(13-16-29)26-28-17-24(32-26)20-8-10-23(31-2)11-9-20;/h4-13,15-17H,3,14,18H2,1-2H3;1H