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

Systemtic Name: 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]ethanamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]acetamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(3-keto-1,4-benzoxazin-4-yl)acetamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)CN2C(=O)COC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)CN2C(=O)COC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3/c27-21(15-26-19-8-4-5-9-20(19)29-16-22(26)28)24-23-18-10-12-25(13-11-18)14-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,24,27)/p+1