4-phenyl-N-[[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 4-phenyl-N-[[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-phenyl-N-[[(3R)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-phenyl-N-[[(3R)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-phenyl-N-[[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-phenyl-N-[[(3R)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methyl]benzamide Formula: C29H31N4O+ MolecularWeight: 451.58264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)CNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)CNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O/c34-29(26-14-12-25(13-15-26)24-8-2-1-3-9-24)31-19-23-7-5-17-32(21-23)22-28-11-6-18-33(28)27-10-4-16-30-20-27/h1-4,6,8-16,18,20,23H,5,7,17,19,21-22H2,(H,31,34)/p+1/t23-/m1/s1