(2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: (2,4-dimethylbenzyl)-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H27N3O2S/c1-16-6-7-18(17(2)13-16)14-22(3)15-20(25)23-8-10-24(11-9-23)21(26)19-5-4-12-27-19/h4-7,12-13H,8-11,14-15H2,1-3H3/p+1