4-[[4-(5-chloranylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxy-3-methyl-phenyl)-5-methyl-1,3-oxazole

Systemtic Name: 4-[[4-(5-chloranylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxy-3-methyl-phenyl)-5-methyl-1,3-oxazole Openeye Name: 4-[[4-(5-chloro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazole CAS Name: 4-[[4-(5-chloro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-2-(4-methoxy-3-methylphenyl)-5-methyloxazole IUPAC Name: 4-[[4-(5-chloropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazole Traditional Name: 4-[[4-(5-chloro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazole Formula: C22H26ClN4O2+ MolecularWeight: 413.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=NC=C(C=C4)Cl)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=NC=C(C=C4)Cl)OC

InChI

InChI=1S/C22H25ClN4O2/c1-15-12-17(4-6-20(15)28-3)22-25-19(16(2)29-22)14-26-8-10-27(11-9-26)21-7-5-18(23)13-24-21/h4-7,12-13H,8-11,14H2,1-3H3/p+1