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

Systemtic Name: 3-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide Openeye Name: 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide CAS Name: 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide Traditional Name: 3-(3-keto-7-methyl-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ium-1-ylethyl)propionamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CO2)CCC(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CO2)CCC(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C19H27N3O3/c1-15-5-6-16-17(13-15)25-14-19(24)22(16)11-7-18(23)20-8-12-21-9-3-2-4-10-21/h5-6,13H,2-4,7-12,14H2,1H3,(H,20,23)/p+1