(phenylmethyl) N-[6-(4-methyl-3-phenacyl-imidazol-1-ium-1-yl)hexyl]carbamate

Systemtic Name: (phenylmethyl) N-[6-(4-methyl-3-phenacyl-imidazol-1-ium-1-yl)hexyl]carbamate Openeye Name: benzyl N-[6-(4-methyl-3-phenacyl-imidazol-1-ium-1-yl)hexyl]carbamate CAS Name: N-[6-(4-methyl-3-phenacyl-1-imidazol-1-iumyl)hexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-(4-methyl-3-phenacylimidazol-1-ium-1-yl)hexyl]carbamate Traditional Name: N-[6-(4-methyl-3-phenacyl-imidazol-1-ium-1-yl)hexyl]carbamic acid benzyl ester Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CN1CC(=O)C2=CC=CC=C2)CCCCCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+](=CN1CC(=O)C2=CC=CC=C2)CCCCCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O3/c1-22-18-28(21-29(22)19-25(30)24-14-8-5-9-15-24)17-11-3-2-10-16-27-26(31)32-20-23-12-6-4-7-13-23/h4-9,12-15,18,21H,2-3,10-11,16-17,19-20H2,1H3/p+1