(2S)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-one

Systemtic Name: (2S)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-one Openeye Name: (2S)-1-(4-isopropoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-2-phenyl-3-(1-piperidin-1-iumyl)-1-(4-propan-2-yloxyphenyl)-1-propanone IUPAC Name: (2S)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-one Traditional Name: (2S)-1-(4-isopropoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one Formula: C23H30NO2+ MolecularWeight: 352.4898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)[C@H](C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO2/c1-18(2)26-21-13-11-20(12-14-21)23(25)22(19-9-5-3-6-10-19)17-24-15-7-4-8-16-24/h3,5-6,9-14,18,22H,4,7-8,15-17H2,1-2H3/p+1/t22-/m1/s1