2-(4-nitrophenyl)-5-[4-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-nitrophenyl)-5-[4-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-nitrophenyl)-5-[4-(2-piperidin-1-ium-1-ylethyl)-1-piperidyl]oxazole-4-carbonitrile CAS Name: 2-(4-nitrophenyl)-5-[4-[2-(1-piperidin-1-iumyl)ethyl]-1-piperidinyl]-4-oxazolecarbonitrile IUPAC Name: 2-(4-nitrophenyl)-5-[4-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-nitrophenyl)-5-[4-(2-piperidin-1-ium-1-ylethyl)piperidino]oxazole-4-carbonitrile Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2CCN(CC2)C3=C(N=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC[NH+](CC1)CCC2CCN(CC2)C3=C(N=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H27N5O3/c23-16-20-22(30-21(24-20)18-4-6-19(7-5-18)27(28)29)26-14-9-17(10-15-26)8-13-25-11-2-1-3-12-25/h4-7,17H,1-3,8-15H2/p+1