N-[2-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C25H35N6O2+ MolecularWeight: 451.5844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)CN4C=CC=N4

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)CN4C=CC=N4

InChI

InChI=1S/C25H34N6O2/c1-19(2)15-25(32)28-24-7-11-27-31(24)22-8-13-29(14-9-22)17-20-5-6-23(33-3)21(16-20)18-30-12-4-10-26-30/h4-7,10-12,16,19,22H,8-9,13-15,17-18H2,1-3H3,(H,28,32)/p+1