3-oxidanylidene-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-4H-1,4-benzoxazine-7-carboxamide

Systemtic Name: 3-oxidanylidene-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-4H-1,4-benzoxazine-7-carboxamide Openeye Name: 3-oxo-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-4H-1,4-benzoxazine-7-carboxamide CAS Name: 3-oxo-N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]-4H-1,4-benzoxazine-7-carboxamide IUPAC Name: 3-oxo-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-4H-1,4-benzoxazine-7-carboxamide Traditional Name: 3-keto-N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]-4H-1,4-benzoxazine-7-carboxamide Formula: C27H28N3O3+ MolecularWeight: 442.52952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CC5=C(C=C4)NC(=O)CO5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CC5=C(C=C4)NC(=O)CO5

InChI

InChI=1S/C27H27N3O3/c31-26-18-33-25-15-21(11-12-24(25)29-26)27(32)28-16-22-5-1-2-6-23(22)20-9-7-19(8-10-20)17-30-13-3-4-14-30/h1-2,5-12,15H,3-4,13-14,16-18H2,(H,28,32)(H,29,31)/p+1