[(3S)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C22H28NO4+ MolecularWeight: 370.46202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC)O

InChI

InChI=1S/C22H27NO4/c1-3-27-21-12-16(9-10-20(21)24)14-23-11-5-7-18(15-23)22(25)17-6-4-8-19(13-17)26-2/h4,6,8-10,12-13,18,24H,3,5,7,11,14-15H2,1-2H3/p+1/t18-/m0/s1