2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ethanamide

Systemtic Name: 2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ethanamide Openeye Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide CAS Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]acetamide IUPAC Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Traditional Name: 2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H35N3O3/c1-17-8-5-6-12-25(17)13-7-11-24-21(27)15-26-19-14-18(23(2,3)4)9-10-20(19)29-16-22(26)28/h9-10,14,17H,5-8,11-13,15-16H2,1-4H3,(H,24,27)/p+1/t17-/m0/s1