[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone

Systemtic Name: [(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone Openeye Name: [(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone CAS Name: [(3S)-1-[(2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-(4-methoxy-3,5-dimethylphenyl)methanone IUPAC Name: [(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone Traditional Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-salicylpiperidin-1-ium-3-yl]methanone Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3O

InChI

InChI=1S/C22H27NO3/c1-15-11-19(12-16(2)22(15)26-3)21(25)18-8-6-10-23(14-18)13-17-7-4-5-9-20(17)24/h4-5,7,9,11-12,18,24H,6,8,10,13-14H2,1-3H3/p+1/t18-/m0/s1