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

Systemtic Name: 2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-6-propanoyl-1,4-benzoxazin-3-one Openeye Name: 2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-6-propanoyl-1,4-benzoxazin-3-one CAS Name: 2,2-dimethyl-6-(1-oxopropyl)-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-6-propanoyl-1,4-benzoxazin-3-one Traditional Name: 2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-6-propionyl-1,4-benzoxazin-3-one Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3/c1-4-17(23)15-8-9-18-16(14-15)22(19(24)20(2,3)25-18)13-12-21-10-6-5-7-11-21/h8-9,14H,4-7,10-13H2,1-3H3/p+1