1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazine

Systemtic Name: 1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazine Openeye Name: 1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazine CAS Name: 1-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]phthalazine IUPAC Name: 1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazine Traditional Name: 1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)phthalazine Formula: C23H22N5+ MolecularWeight: 368.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5/c1-2-8-18(9-3-1)22-19-10-4-5-11-20(19)23(26-25-22)28-16-14-27(15-17-28)21-12-6-7-13-24-21/h1-13H,14-17H2/p+1