(6R)-7-oxidanylidene-9-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile

Systemtic Name: (6R)-7-oxidanylidene-9-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile Openeye Name: (6R)-7-oxo-9-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile CAS Name: (6R)-7-oxo-9-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile IUPAC Name: (6R)-7-oxo-9-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile Traditional Name: (6R)-7-keto-9-(4-pyridin-1-ium-2-ylpiperazino)-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile Formula: C18H23N6O+ MolecularWeight: 339.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4)C#N

Isomeric SMILES

C1CCC2(C1)[C@@H](C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4)C#N

InChI

InChI=1S/C18H22N6O/c19-13-14-16(25)21-17(22-18(14)6-2-3-7-18)24-11-9-23(10-12-24)15-5-1-4-8-20-15/h1,4-5,8,14H,2-3,6-7,9-12H2,(H,21,22,25)/p+1/t14-/m1/s1