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

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-ethyl-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]ammonium Formula: C22H31N4O2S+ MolecularWeight: 415.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-4-24(16-18-7-9-19(10-8-18)23(2)3)17-21(27)25-11-13-26(14-12-25)22(28)20-6-5-15-29-20/h5-10,15H,4,11-14,16-17H2,1-3H3/p+1