7-methoxy-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile

Systemtic Name: 7-methoxy-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile Openeye Name: 7-methoxy-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile CAS Name: 7-methoxy-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]-3-quinolin-1-iumcarbonitrile IUPAC Name: 7-methoxy-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-isonicotinoylpiperazino)-7-methoxy-quinolin-1-ium-3-carbonitrile Formula: C21H20N5O2+ MolecularWeight: 374.4158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4=CC=NC=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4=CC=NC=C4)C#N

InChI

InChI=1S/C21H19N5O2/c1-28-18-3-2-16-12-17(14-22)20(24-19(16)13-18)25-8-10-26(11-9-25)21(27)15-4-6-23-7-5-15/h2-7,12-13H,8-11H2,1H3/p+1