(phenylmethyl) carbamate; 1-(1,1,5-trimethylindol-1-ium-3-yl)ethanone

Systemtic Name: (phenylmethyl) carbamate; 1-(1,1,5-trimethylindol-1-ium-3-yl)ethanone Openeye Name: benzyl carbamate; 1-(1,1,5-trimethylindol-1-ium-3-yl)ethanone CAS Name: carbamic acid (phenylmethyl) ester; 1-(1,1,5-trimethyl-3-indol-1-iumyl)ethanone IUPAC Name: benzyl carbamate; 1-(1,1,5-trimethylindol-1-ium-3-yl)ethanone Traditional Name: carbamic acid benzyl ester; 1-(1,1,5-trimethylindol-1-ium-3-yl)ethanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C=C2C(=O)C)(C)C.C1=CC=C(C=C1)COC(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C=C2C(=O)C)(C)C.C1=CC=C(C=C1)COC(=O)N

InChI

InChI=1S/C13H16NO.C8H9NO2/c1-9-5-6-13-11(7-9)12(10(2)15)8-14(13,3)4;9-8(10)11-6-7-4-2-1-3-5-7/h5-8H,1-4H3;1-5H,6H2,(H2,9,10)/q+1;