2-(4-methylphenyl)-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-methylphenyl)-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(2-piperidin-1-ium-1-ylethylamino)-2-(p-tolyl)oxazole-4-carbonitrile CAS Name: 2-(4-methylphenyl)-5-[2-(1-piperidin-1-iumyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(4-methylphenyl)-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(2-piperidin-1-ium-1-ylethylamino)-2-(p-tolyl)oxazole-4-carbonitrile Formula: C18H23N4O+ MolecularWeight: 311.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCCCC3)C#N

InChI

InChI=1S/C18H22N4O/c1-14-5-7-15(8-6-14)17-21-16(13-19)18(23-17)20-9-12-22-10-3-2-4-11-22/h5-8,20H,2-4,9-12H2,1H3/p+1