4-[(3-oxidanylidene-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[(3-oxidanylidene-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[(3-keto-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C23H25N3O3/c27-22(24-12-5-15-26-13-3-4-14-26)18-10-8-17(9-11-18)16-21-23(28)25-19-6-1-2-7-20(19)29-21/h1-2,6-11,16H,3-5,12-15H2,(H,24,27)(H,25,28)/p+1