dimethyl-[(2S)-2-phenyl-2-[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-phenyl-2-[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium Traditional Name: dimethyl-[(2S)-2-phenyl-2-[[1-(2-thenoyl)isonipecotoyl]amino]ethyl]ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-23(2)15-18(16-7-4-3-5-8-16)22-20(25)17-10-12-24(13-11-17)21(26)19-9-6-14-27-19/h3-9,14,17-18H,10-13,15H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1