(3-propan-2-yloxyphenyl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C22H31N3O2/c1-15(2)21-12-19(23-24-21)14-25-10-6-8-18(13-25)22(26)17-7-5-9-20(11-17)27-16(3)4/h5,7,9,11-12,15-16,18H,6,8,10,13-14H2,1-4H3,(H,23,24)/p+1/t18-/m0/s1