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

Systemtic Name: [(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-[(2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-salicylpiperidin-1-ium-3-yl]methanone Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3O

InChI

InChI=1S/C22H27NO3/c1-16(2)26-20-10-5-8-17(13-20)22(25)19-9-6-12-23(15-19)14-18-7-3-4-11-21(18)24/h3-5,7-8,10-11,13,16,19,24H,6,9,12,14-15H2,1-2H3/p+1/t19-/m0/s1