ethyl 4-(2-methylthiophen-3-yl)-4-(phenylmethyl)piperazin-4-ium-1-carboxylate bromide

Systemtic Name: ethyl 4-(2-methylthiophen-3-yl)-4-(phenylmethyl)piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-benzyl-4-(2-methyl-3-thienyl)piperazin-4-ium-1-carboxylate bromide CAS Name: 4-(2-methyl-3-thiophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-benzyl-4-(2-methylthiophen-3-yl)piperazin-4-ium-1-carboxylate bromide Traditional Name: 4-benzyl-4-(2-methyl-3-thienyl)piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C19H25BrN2O2S MolecularWeight: 425.383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[N+](CC1)(CC2=CC=CC=C2)C3=C(SC=C3)C.[Br-]

Isomeric SMILES

CCOC(=O)N1CC[N+](CC1)(CC2=CC=CC=C2)C3=C(SC=C3)C.[Br-]

InChI

InChI=1S/C19H25N2O2S.BrH/c1-3-23-19(22)20-10-12-21(13-11-20,18-9-14-24-16(18)2)15-17-7-5-4-6-8-17;/h4-9,14H,3,10-13,15H2,1-2H3;1H/q+1;/p-1