[(1R)-2-methyl-1-phenyl-propyl]-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)[NH2+]CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C1=CC=CC=C1)[NH2+]CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-16(2)20(17-7-4-3-5-8-17)22-15-19(25)23-10-12-24(13-11-23)21(26)18-9-6-14-27-18/h3-9,14,16,20,22H,10-13,15H2,1-2H3/p+1/t20-/m1/s1