2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide

Systemtic Name: 2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: 2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H34N4O3/c1-26(2,3)20-9-10-23-22(17-20)30(25(32)19-33-23)18-24(31)27-11-12-28-13-15-29(16-14-28)21-7-5-4-6-8-21/h4-10,17H,11-16,18-19H2,1-3H3,(H,27,31)/p+1