5-ethanoyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(4-phenyl-1-piperazinyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(4-phenylpiperazino)pyridin-1-ium-3-carbonitrile Formula: C19H21N4O+ MolecularWeight: 321.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)N2CCN(CC2)C3=CC=CC=C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)N2CCN(CC2)C3=CC=CC=C3)C#N)C(=O)C

InChI

InChI=1S/C19H20N4O/c1-14-18(15(2)24)12-16(13-20)19(21-14)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,12H,8-11H2,1-2H3/p+1