6-butanoyl-2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-butanoyl-2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: 6-butanoyl-2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: 2,2-dimethyl-6-(1-oxobutyl)-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-butanoyl-2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 6-butyryl-2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC[NH+]3CCCCC3)(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC[NH+]3CCCCC3)(C)C

InChI

InChI=1S/C21H30N2O3/c1-4-8-18(24)16-9-10-19-17(15-16)23(20(25)21(2,3)26-19)14-13-22-11-6-5-7-12-22/h9-10,15H,4-8,11-14H2,1-3H3/p+1