5-(4-chlorophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)piperidin-1-yl]-1,2,4-triazine

Systemtic Name: 5-(4-chlorophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)piperidin-1-yl]-1,2,4-triazine Openeye Name: 5-(4-chlorophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)-1-piperidyl]-1,2,4-triazine CAS Name: 5-(4-chlorophenyl)-3-[4-(4-ethyl-1-piperazin-1-iumyl)-1-piperidinyl]-1,2,4-triazine IUPAC Name: 5-(4-chlorophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)piperidin-1-yl]-1,2,4-triazine Traditional Name: 5-(4-chlorophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)piperidino]-1,2,4-triazine Formula: C20H28ClN6+ MolecularWeight: 387.92952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2CCN(CC2)C3=NC(=CN=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1CC[NH+](CC1)C2CCN(CC2)C3=NC(=CN=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H27ClN6/c1-2-25-11-13-26(14-12-25)18-7-9-27(10-8-18)20-23-19(15-22-24-20)16-3-5-17(21)6-4-16/h3-6,15,18H,2,7-14H2,1H3/p+1