N-[5-cyano-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-cyano-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-cyano-2-(4-methyl-1-piperidyl)pyrimidin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-cyano-2-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-cyano-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-cyano-2-(4-methylpiperidino)pyrimidin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C23H30N7O+ MolecularWeight: 420.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC=C(C(=N2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1CCN(CC1)C2=NC=C(C(=N2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H29N7O/c1-18-7-9-30(10-8-18)23-25-16-19(15-24)22(27-23)26-21(31)17-28-11-13-29(14-12-28)20-5-3-2-4-6-20/h2-6,16,18H,7-14,17H2,1H3,(H,25,26,27,31)/p+1