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

Systemtic Name: 4-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide CAS Name: 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-[(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=C(C=C2)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

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

InChI

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