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

Systemtic Name: 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(1-naphthylmethyl)-5-(2-piperidin-1-ium-1-ylethylamino)oxazole-4-carbonitrile CAS Name: 2-(1-naphthalenylmethyl)-5-[2-(1-piperidin-1-iumyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(1-naphthylmethyl)-5-(2-piperidin-1-ium-1-ylethylamino)oxazole-4-carbonitrile Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCNC2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C22H24N4O/c23-16-20-22(24-11-14-26-12-4-1-5-13-26)27-21(25-20)15-18-9-6-8-17-7-2-3-10-19(17)18/h2-3,6-10,24H,1,4-5,11-15H2/p+1