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

Systemtic Name: 3-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide CAS Name: 3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-[(3-keto-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C2=CC(=CC=C2)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C2=CC(=CC=C2)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O3/c27-22-17-29-21-10-3-2-9-20(21)26(22)16-18-7-6-8-19(15-18)23(28)24-11-14-25-12-4-1-5-13-25/h2-3,6-10,15H,1,4-5,11-14,16-17H2,(H,24,28)/p+1