[2-(3-aminocarbonylpyridin-1-ium-1-yl)-3-methyl-2,3-dihydro-1H-indol-5-yl] N,N-dimethylcarbamate bromide

Systemtic Name: [2-(3-aminocarbonylpyridin-1-ium-1-yl)-3-methyl-2,3-dihydro-1H-indol-5-yl] N,N-dimethylcarbamate bromide Openeye Name: [2-(3-carbamoylpyridin-1-ium-1-yl)-3-methyl-indolin-5-yl] N,N-dimethylcarbamate bromide CAS Name: N,N-dimethylcarbamic acid [2-(3-carbamoyl-1-pyridin-1-iumyl)-3-methyl-2,3-dihydro-1H-indol-5-yl] ester bromide IUPAC Name: [2-(3-carbamoylpyridin-1-ium-1-yl)-3-methyl-2,3-dihydro-1H-indol-5-yl] N,N-dimethylcarbamate bromide Traditional Name: N,N-dimethylcarbamic acid [2-(3-carbamoylpyridin-1-ium-1-yl)-3-methyl-indolin-5-yl] ester bromide Formula: C18H21BrN4O3 MolecularWeight: 421.28834

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC2=C1C=C(C=C2)OC(=O)N(C)C)[N+]3=CC=CC(=C3)C(=O)N.[Br-]

Isomeric SMILES

CC1C(NC2=C1C=C(C=C2)OC(=O)N(C)C)[N+]3=CC=CC(=C3)C(=O)N.[Br-]

InChI

InChI=1S/C18H20N4O3.BrH/c1-11-14-9-13(25-18(24)21(2)3)6-7-15(14)20-17(11)22-8-4-5-12(10-22)16(19)23;/h4-11,17,20H,1-3H3,(H-,19,23);1H