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

Systemtic Name: 5-(3-chlorophenyl)-3-(4-cyclopentylpiperazin-4-ium-1-yl)-1,2,4-triazine Openeye Name: 5-(3-chlorophenyl)-3-(4-cyclopentylpiperazin-4-ium-1-yl)-1,2,4-triazine CAS Name: 5-(3-chlorophenyl)-3-(4-cyclopentyl-1-piperazin-4-iumyl)-1,2,4-triazine IUPAC Name: 5-(3-chlorophenyl)-3-(4-cyclopentylpiperazin-4-ium-1-yl)-1,2,4-triazine Traditional Name: 5-(3-chlorophenyl)-3-(4-cyclopentylpiperazin-4-ium-1-yl)-1,2,4-triazine Formula: C18H23ClN5+ MolecularWeight: 344.86172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C3=NC(=CN=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C3=NC(=CN=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H22ClN5/c19-15-5-3-4-14(12-15)17-13-20-22-18(21-17)24-10-8-23(9-11-24)16-6-1-2-7-16/h3-5,12-13,16H,1-2,6-11H2/p+1