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

Systemtic Name: N-(3-methylphenyl)-3-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(m-tolyl)-3-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(3-methylphenyl)-3-[1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-methylphenyl)-3-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(m-tolyl)-3-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C25H30N4O/c1-20-6-4-7-22(18-20)27-25(30)11-10-21-12-16-28(17-13-21)19-23-8-5-15-29(23)24-9-2-3-14-26-24/h2-9,14-15,18,21H,10-13,16-17,19H2,1H3,(H,27,30)/p+1