5-(3-chlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2,4-triazine

Systemtic Name: 5-(3-chlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2,4-triazine Openeye Name: 5-(3-chlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2,4-triazine CAS Name: 5-(3-chlorophenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1,2,4-triazine IUPAC Name: 5-(3-chlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2,4-triazine Traditional Name: 5-(3-chlorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazino)-1,2,4-triazine Formula: C18H18ClN6+ MolecularWeight: 353.82872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=CN=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=CN=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H17ClN6/c19-15-5-3-4-14(12-15)16-13-21-23-18(22-16)25-10-8-24(9-11-25)17-6-1-2-7-20-17/h1-7,12-13H,8-11H2/p+1