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

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]propionamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C26H32N4O2/c1-20-17-23(32-2)11-12-24(20)28-26(31)13-10-21-7-5-15-29(18-21)19-22-8-6-16-30(22)25-9-3-4-14-27-25/h3-4,6,8-9,11-12,14,16-17,21H,5,7,10,13,15,18-19H2,1-2H3,(H,28,31)/p+1/t21-/m1/s1