2-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCNC(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCNC(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O3/c28-23(17-27-21-8-4-5-9-22(21)30-18-24(27)29)25-12-15-26-13-10-20(11-14-26)16-19-6-2-1-3-7-19/h1-9,20H,10-18H2,(H,25,28)/p+1