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

Systemtic Name: 3-[[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]-N-propyl-benzamide Openeye Name: 3-[[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]methyl]-N-propyl-benzamide CAS Name: 3-[[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]methyl]-N-propylbenzamide IUPAC Name: 3-[[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]-N-propylbenzamide Traditional Name: 3-[[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]methyl]-N-propyl-benzamide Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)C[N+]2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)C[N+]2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)OC

InChI

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