4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)butanamide

Systemtic Name: 4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)butanamide Openeye Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)butanamide CAS Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(1-piperidin-1-iumyl)ethyl]butanamide IUPAC Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)butanamide Traditional Name: 4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)butyramide Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCC[NH+]3CCCCC3

InChI

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