(7R)-8-oxidanylidene-10-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile

Systemtic Name: (7R)-8-oxidanylidene-10-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Openeye Name: (7R)-8-oxo-10-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile CAS Name: (7R)-8-oxo-10-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile IUPAC Name: (7R)-8-oxo-10-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Traditional Name: (7R)-8-keto-10-(4-pyridin-1-ium-2-ylpiperazino)-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Formula: C19H25N6O+ MolecularWeight: 353.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4)C#N

Isomeric SMILES

C1CCC2(CC1)[C@@H](C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4)C#N

InChI

InChI=1S/C19H24N6O/c20-14-15-17(26)22-18(23-19(15)7-3-1-4-8-19)25-12-10-24(11-13-25)16-6-2-5-9-21-16/h2,5-6,9,15H,1,3-4,7-8,10-13H2,(H,22,23,26)/p+1/t15-/m1/s1