N-[2-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide

Systemtic Name: N-[2-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Openeye Name: N-[2-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide CAS Name: N-[2-[1-[(2S)-1-methoxypropan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methylbenzamide IUPAC Name: N-[2-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methylbenzamide Traditional Name: N-[2-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)C(C)COC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)[C@@H](C)COC

InChI

InChI=1S/C20H28N4O2/c1-15-6-4-5-7-18(15)20(25)22-19-8-11-21-24(19)17-9-12-23(13-10-17)16(2)14-26-3/h4-8,11,16-17H,9-10,12-14H2,1-3H3,(H,22,25)/p+1/t16-/m0/s1