3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-2H-1,2,4-triazin-5-one CAS Name: 3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6-methyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methyl-2H-1,2,4-triazin-5-one Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NNC(=NC1=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c1-16-20(27)22-21(24-23-16)26-14-12-25(13-15-26)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,24,27)/p+1