N-[(1S)-1-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide

Systemtic Name: N-[(1S)-1-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide Openeye Name: N-[(1S)-1-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide CAS Name: N-[(1S)-1-[1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-N-methyl-3-thiophenecarboxamide IUPAC Name: N-[(1S)-1-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]-N-methylthiophene-3-carboxamide Traditional Name: N-[(1S)-1-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide Formula: C27H37N4OS+ MolecularWeight: 465.67388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)C(CC3=CC=CC=C3)N(C)C(=O)C4=CSC=C4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)[C@H](CC3=CC=CC=C3)N(C)C(=O)C4=CSC=C4)C

InChI

InChI=1S/C27H36N4OS/c1-5-31-21(3)25(20(2)28-31)18-30-14-11-23(12-15-30)26(17-22-9-7-6-8-10-22)29(4)27(32)24-13-16-33-19-24/h6-10,13,16,19,23,26H,5,11-12,14-15,17-18H2,1-4H3/p+1/t26-/m0/s1