4-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C27H28N3O3+ MolecularWeight: 442.52952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)COC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)COC5=CC=CC=C54

InChI

InChI=1S/C27H27N3O3/c31-25(19-30-23-13-7-8-14-24(23)33-20-26(30)32)28-15-17-29(18-16-28)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,27H,15-20H2/p+1