1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-yl thiophene-2-carboxylate

Systemtic Name: 1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-yl thiophene-2-carboxylate Openeye Name: [2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 1-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propan-2-yl ester IUPAC Name: 1-(4-benzylpiperazine-1,4-diium-1-yl)propan-2-yl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-ethyl] ester Formula: C19H26N2O2S+2 MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)OC(=O)C3=CC=CS3

Isomeric SMILES

CC(C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)OC(=O)C3=CC=CS3

InChI

InChI=1S/C19H24N2O2S/c1-16(23-19(22)18-8-5-13-24-18)14-20-9-11-21(12-10-20)15-17-6-3-2-4-7-17/h2-8,13,16H,9-12,14-15H2,1H3/p+2