2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-5-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-5-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5-phenyl-pyridine-3-carbonitrile CAS Name: 2-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-5-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5-phenylpyridine-3-carbonitrile Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5-phenyl-nicotinonitrile Formula: C23H24N5+ MolecularWeight: 370.47016

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C=C3C#N)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5/c1-27-11-13-28(14-12-27)22-9-7-21(8-10-22)26-23-19(16-24)15-20(17-25-23)18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,25,26)/p+1