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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CN3C4=CN=CC=C4

InChI

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