[4-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-3-oxidanylidene-1,4-benzoxazin-6-yl] N,N-dimethylcarbamate iodide

Systemtic Name: [4-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-3-oxidanylidene-1,4-benzoxazin-6-yl] N,N-dimethylcarbamate iodide Openeye Name: [4-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-3-oxo-1,4-benzoxazin-6-yl] N,N-dimethylcarbamate iodide CAS Name: N,N-dimethylcarbamic acid [4-[2-(1-ethyl-1-piperidin-1-iumyl)ethyl]-3-oxo-1,4-benzoxazin-6-yl] ester iodide IUPAC Name: [4-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-3-oxo-1,4-benzoxazin-6-yl] N,N-dimethylcarbamate iodide Traditional Name: N,N-dimethylcarbamic acid [4-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-3-keto-1,4-benzoxazin-6-yl] ester iodide Formula: C20H30IN3O4 MolecularWeight: 503.37437

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CCN2C(=O)COC3=C2C=C(C=C3)OC(=O)N(C)C.[I-]

Isomeric SMILES

CC[N+]1(CCCCC1)CCN2C(=O)COC3=C2C=C(C=C3)OC(=O)N(C)C.[I-]

InChI

InChI=1S/C20H30N3O4.HI/c1-4-23(11-6-5-7-12-23)13-10-22-17-14-16(27-20(25)21(2)3)8-9-18(17)26-15-19(22)24;/h8-9,14H,4-7,10-13,15H2,1-3H3;1H/q+1;/p-1