3-[(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 3-[(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-[(3-keto-7-methyl-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=CC(=C3)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=CC(=C3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C23H27N3O3/c1-17-7-8-20-21(13-17)29-16-22(27)26(20)15-18-5-4-6-19(14-18)23(28)24-9-12-25-10-2-3-11-25/h4-8,13-14H,2-3,9-12,15-16H2,1H3,(H,24,28)/p+1