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

Systemtic Name: 2,2-dimethyl-N-[2-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: 2,2-dimethyl-N-[2-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide CAS Name: 2,2-dimethyl-N-[2-[1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 2,2-dimethyl-N-[2-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: 2,2-dimethyl-N-[2-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propionamide Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C23H30N6O/c1-23(2,3)22(30)26-21-8-12-25-29(21)18-9-14-27(15-10-18)17-20-7-5-13-28(20)19-6-4-11-24-16-19/h4-8,11-13,16,18H,9-10,14-15,17H2,1-3H3,(H,26,30)/p+1