4-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]-1,4-benzoxazin-3-one Openeye Name: 4-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]-1,4-benzoxazin-3-one CAS Name: 4-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]-1,4-benzoxazin-3-one Traditional Name: 4-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]-1,4-benzoxazin-3-one Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O3/c27-22(25-15-13-24(14-16-25)17-19-7-2-1-3-8-19)11-6-12-26-20-9-4-5-10-21(20)29-18-23(26)28/h1-5,7-10H,6,11-18H2/p+1