2-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: 2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-keto-7-methyl-1,4-benzoxazin-4-yl)acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CO2)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CO2)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c1-17-7-8-20-21(13-17)29-16-23(28)26(20)15-22(27)24-19-9-11-25(12-10-19)14-18-5-3-2-4-6-18/h2-8,13,19H,9-12,14-16H2,1H3,(H,24,27)/p+1