2-methyl-5-[[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]amino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-methyl-5-[[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-methyl-5-[[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]amino]oxazole-4-carbonitrile CAS Name: 2-methyl-5-[[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]amino]-4-oxazolecarbonitrile IUPAC Name: 2-methyl-5-[[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-methyl-5-[[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]amino]oxazole-4-carbonitrile Formula: C18H23N4O+ MolecularWeight: 311.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)NCC(C2=CC=CC=C2)[NH+]3CCCCC3)C#N

Isomeric SMILES

CC1=NC(=C(O1)NC[C@@H](C2=CC=CC=C2)[NH+]3CCCCC3)C#N

InChI

InChI=1S/C18H22N4O/c1-14-21-16(12-19)18(23-14)20-13-17(15-8-4-2-5-9-15)22-10-6-3-7-11-22/h2,4-5,8-9,17,20H,3,6-7,10-11,13H2,1H3/p+1/t17-/m0/s1