2-methyl-N-[2-[1-[(2R)-1-(1-methylcyclopropyl)propan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-methyl-N-[2-[1-[(2R)-1-(1-methylcyclopropyl)propan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methyl-N-[2-[1-[(1R)-1-methyl-2-(1-methylcyclopropyl)ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methyl-N-[2-[1-[(2R)-1-(1-methylcyclopropyl)propan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-N-[2-[1-[(2R)-1-(1-methylcyclopropyl)propan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methyl-N-[2-[1-[(1R)-1-methyl-2-(1-methylcyclopropyl)ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)C(C)CC4(CC4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)[C@H](C)CC4(CC4)C

InChI

InChI=1S/C23H32N4O/c1-17-6-4-5-7-20(17)22(28)25-21-8-13-24-27(21)19-9-14-26(15-10-19)18(2)16-23(3)11-12-23/h4-8,13,18-19H,9-12,14-16H2,1-3H3,(H,25,28)/p+1/t18-/m1/s1