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

Systemtic Name: 2-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ethanamide Openeye Name: 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide CAS Name: 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]acetamide IUPAC Name: 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Traditional Name: 2-(3-keto-6-methyl-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-15-7-8-18-17(12-15)23(20(25)14-26-18)13-19(24)21-9-5-11-22-10-4-3-6-16(22)2/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1