2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propylamino]-5-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propylamino]-5-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propylamino]-5-phenyl-pyridine-3-carbonitrile CAS Name: 2-[3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]propylamino]-5-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propylamino]-5-phenylpyridine-3-carbonitrile Traditional Name: 2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propylamino]-5-phenyl-nicotinonitrile Formula: C21H29N5O+2 MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCNC2=NC=C(C=C2C#N)C3=CC=CC=C3)CCO

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCNC2=NC=C(C=C2C#N)C3=CC=CC=C3)CCO

InChI

InChI=1S/C21H27N5O/c22-16-19-15-20(18-5-2-1-3-6-18)17-24-21(19)23-7-4-8-25-9-11-26(12-10-25)13-14-27/h1-3,5-6,15,17,27H,4,7-14H2,(H,23,24)/p+2