5-ethanoyl-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-6-methyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 5-ethanoyl-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-6-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 5-acetyl-2-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylamino]-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 5-acetyl-2-[[3-(4-methoxyphenyl)-5-isoxazolyl]methylamino]-6-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 5-acetyl-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 5-acetyl-2-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylamino]-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C20H19N4O3+ MolecularWeight: 363.38986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)NCC2=CC(=NO2)C3=CC=C(C=C3)OC)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)NCC2=CC(=NO2)C3=CC=C(C=C3)OC)C#N)C(=O)C

InChI

InChI=1S/C20H18N4O3/c1-12-18(13(2)25)8-15(10-21)20(23-12)22-11-17-9-19(24-27-17)14-4-6-16(26-3)7-5-14/h4-9H,11H2,1-3H3,(H,22,23)/p+1