N-methyl-N-[(1R)-2-phenyl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]thiophene-3-carboxamide

Systemtic Name: N-methyl-N-[(1R)-2-phenyl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]thiophene-3-carboxamide Openeye Name: N-methyl-N-[(1R)-2-phenyl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]thiophene-3-carboxamide CAS Name: N-methyl-N-[(1R)-2-phenyl-1-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]ethyl]-3-thiophenecarboxamide IUPAC Name: N-methyl-N-[(1R)-2-phenyl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]thiophene-3-carboxamide Traditional Name: N-methyl-N-[(1R)-2-phenyl-1-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]ethyl]thiophene-3-carboxamide Formula: C28H32N5OS+ MolecularWeight: 486.65158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5OS/c1-31(27(34)24-12-18-35-21-24)26(19-22-7-3-2-4-8-22)23-10-16-32(17-11-23)20-25-9-5-15-33(25)28-29-13-6-14-30-28/h2-9,12-15,18,21,23,26H,10-11,16-17,19-20H2,1H3/p+1/t26-/m1/s1