N-propan-2-yl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-propan-2-yl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-isopropyl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: N-propan-2-yl-1-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-propan-2-yl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-isopropyl-1-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-4-piperidyl]piperidin-1-ium-4-carboxamide Formula: C23H35N6O+ MolecularWeight: 411.5636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C23H34N6O/c1-18(2)26-22(30)19-6-15-28(16-7-19)20-8-13-27(14-9-20)17-21-5-3-12-29(21)23-24-10-4-11-25-23/h3-5,10-12,18-20H,6-9,13-17H2,1-2H3,(H,26,30)/p+1