3-azanyl-5-[(Z)-1-cyano-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-carbonitrile

Systemtic Name: 3-azanyl-5-[(Z)-1-cyano-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-carbonitrile Openeye Name: 3-amino-5-[(Z)-1-cyano-2-[2-(1-piperidyl)-3-quinolyl]vinyl]-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-carbonitrile CAS Name: 3-amino-5-[(Z)-1-cyano-2-[2-(1-piperidinyl)-3-quinolinyl]ethenyl]-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-carbonitrile IUPAC Name: 3-amino-5-[(Z)-1-cyano-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-carbonitrile Traditional Name: 3-amino-5-[(Z)-1-cyano-2-(2-piperidino-3-quinolyl)vinyl]-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-carbonitrile Formula: C23H24N7O+ MolecularWeight: 414.48296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2C=C(C#N)C4=C(C(=[N+](N4)CCO)N)C#N

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2/C=C(\C#N)/C4=C(C(=[N+](N4)CCO)N)C#N

InChI

InChI=1S/C23H23N7O/c24-14-18(21-19(15-25)22(26)30(28-21)10-11-31)13-17-12-16-6-2-3-7-20(16)27-23(17)29-8-4-1-5-9-29/h2-3,6-7,12-13,31H,1,4-5,8-11H2,(H2,26,28)/p+1/b18-13+