N-methyl-N-[(1R)-2-phenyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-methyl-N-[(1R)-2-phenyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-methyl-N-[(1R)-2-phenyl-1-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]ethyl]thiophene-2-carboxamide CAS Name: N-methyl-N-[(1R)-2-phenyl-1-[1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-methyl-N-[(1R)-2-phenyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-methyl-N-[(1R)-2-phenyl-1-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]ethyl]thiophene-2-carboxamide Formula: C29H33N4OS+ MolecularWeight: 485.66352

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=CN3C4=CC=CC=N4)C(=O)C5=CC=CS5

Isomeric SMILES

CN([C@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=CN3C4=CC=CC=N4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H32N4OS/c1-31(29(34)27-12-8-20-35-27)26(21-23-9-3-2-4-10-23)24-14-18-32(19-15-24)22-25-11-7-17-33(25)28-13-5-6-16-30-28/h2-13,16-17,20,24,26H,14-15,18-19,21-22H2,1H3/p+1/t26-/m1/s1