N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H36N3O2S+ MolecularWeight: 466.65864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C27H35N3O2S/c1-21-11-15-29(16-12-21)24(25-8-5-19-33-25)20-28-27(32)23-13-17-30(18-14-23)26(31)10-9-22-6-3-2-4-7-22/h2-10,19,21,23-24H,11-18,20H2,1H3,(H,28,32)/p+1/b10-9+/t24-/m1/s1