3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O/c31-25-22-13-7-8-14-23(22)26-27-30(25)19-28-15-17-29(18-16-28)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24H,15-19H2/p+1