dimethyl-[(1R)-2-[[1-(phenylcarbamoyl)piperidin-4-yl]carbonylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[1-(phenylcarbamoyl)piperidin-4-yl]carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]-1-(2-thienyl)ethyl]ammonium CAS Name: [(1R)-2-[[[1-[anilino(oxo)methyl]-4-piperidinyl]-oxomethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: dimethyl-[(1R)-2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[[1-(phenylcarbamoyl)isonipecotoyl]amino]-1-(2-thienyl)ethyl]ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H28N4O2S/c1-24(2)18(19-9-6-14-28-19)15-22-20(26)16-10-12-25(13-11-16)21(27)23-17-7-4-3-5-8-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,22,26)(H,23,27)/p+1/t18-/m1/s1