3-[(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 3-[(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide CAS Name: 3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-[(3-keto-7-methyl-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=CC(=C3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=CC(=C3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C24H29N3O3/c1-18-8-9-21-22(14-18)30-17-23(28)27(21)16-19-6-5-7-20(15-19)24(29)25-10-13-26-11-3-2-4-12-26/h5-9,14-15H,2-4,10-13,16-17H2,1H3,(H,25,29)/p+1