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

Systemtic Name: 4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]butanamide Openeye Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]butanamide CAS Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]butanamide IUPAC Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]butanamide Traditional Name: 4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]butyramide Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C

InChI

InChI=1S/C22H33N3O3/c1-17-9-10-20-19(15-17)25(22(27)16-28-20)14-5-8-21(26)23-11-6-13-24-12-4-3-7-18(24)2/h9-10,15,18H,3-8,11-14,16H2,1-2H3,(H,23,26)/p+1/t18-/m0/s1