2-(3-chlorophenyl)-5-methyl-4-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(3-chlorophenyl)-5-methyl-4-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(3-chlorophenyl)-5-methyl-4-[(4-pyridin-4-yl-1-piperidin-1-iumyl)methyl]oxazole IUPAC Name: 2-(3-chlorophenyl)-5-methyl-4-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]oxazole Formula: C21H23ClN3O+ MolecularWeight: 368.87982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)C[NH+]3CCC(CC3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)C[NH+]3CCC(CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H22ClN3O/c1-15-20(24-21(26-15)18-3-2-4-19(22)13-18)14-25-11-7-17(8-12-25)16-5-9-23-10-6-16/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3/p+1