ethyl 4-methyl-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxylate bromide

Systemtic Name: ethyl 4-methyl-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-methyl-4-(o-tolylmethyl)piperazin-4-ium-1-carboxylate bromide CAS Name: 4-methyl-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-methyl-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxylate bromide Traditional Name: 4-methyl-4-(2-methylbenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C16H25BrN2O2 MolecularWeight: 357.2859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2C.[Br-]

Isomeric SMILES

CCOC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2C.[Br-]

InChI

InChI=1S/C16H25N2O2.BrH/c1-4-20-16(19)17-9-11-18(3,12-10-17)13-15-8-6-5-7-14(15)2;/h5-8H,4,9-13H2,1-3H3;1H/q+1;/p-1