6-[2-cyano-2-ethanoyl-1-(piperidin-4-ylamino)pyrrolidin-1-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[2-cyano-2-ethanoyl-1-(piperidin-4-ylamino)pyrrolidin-1-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[2-acetyl-2-cyano-1-(4-piperidylamino)pyrrolidin-1-ium-1-yl]pyridine-3-carbonitrile CAS Name: 6-[2-acetyl-2-cyano-1-(4-piperidinylamino)-1-pyrrolidin-1-iumyl]-3-pyridinecarbonitrile IUPAC Name: 6-[2-acetyl-2-cyano-1-(piperidin-4-ylamino)pyrrolidin-1-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[2-acetyl-2-cyano-1-(4-piperidylamino)pyrrolidin-1-ium-1-yl]nicotinonitrile Formula: C18H23N6O+ MolecularWeight: 339.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC[N+]1(C2=NC=C(C=C2)C#N)NC3CCNCC3)C#N

Isomeric SMILES

CC(=O)C1(CCC[N+]1(C2=NC=C(C=C2)C#N)NC3CCNCC3)C#N

InChI

InChI=1S/C18H23N6O/c1-14(25)18(13-20)7-2-10-24(18,23-16-5-8-21-9-6-16)17-4-3-15(11-19)12-22-17/h3-4,12,16,21,23H,2,5-10H2,1H3/q+1