4-methyl-6-oxidanyl-2-oxidanylidene-5-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1-prop-2-enyl-pyridine-3-carbonitrile

Systemtic Name: 4-methyl-6-oxidanyl-2-oxidanylidene-5-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1-prop-2-enyl-pyridine-3-carbonitrile Openeye Name: 1-allyl-5-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-4-methyl-2-oxo-pyridine-3-carbonitrile CAS Name: 6-hydroxy-4-methyl-2-oxo-5-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-prop-2-enyl-3-pyridinecarbonitrile IUPAC Name: 5-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile Traditional Name: 1-allyl-5-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-keto-4-methyl-nicotinonitrile Formula: C22H28N4O2+2 MolecularWeight: 380.48332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O)CC=C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O)CC=C)C#N

InChI

InChI=1S/C22H26N4O2/c1-3-9-26-21(27)19(14-23)17(2)20(22(26)28)16-25-12-10-24(11-13-25)15-18-7-5-4-6-8-18/h3-8,28H,1,9-13,15-16H2,2H3/p+2