6-tert-butyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-tert-butyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-tert-butyl-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-tert-butyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-tert-butyl-1,4-benzoxazin-3-one Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-25(2,3)20-9-10-22-21(15-20)28(24(30)18-31-22)17-23(29)27-13-11-26(12-14-27)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16-18H2,1-3H3/p+1