(5-chloranyl-2-methoxy-phenyl)-[(3S)-1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(3S)-1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-(3-ethoxy-2-hydroxy-benzyl)piperidin-1-ium-3-yl]methanone Formula: C22H27ClNO4+ MolecularWeight: 404.90708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCCC(C2)C(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C22H26ClNO4/c1-3-28-20-8-4-6-16(22(20)26)14-24-11-5-7-15(13-24)21(25)18-12-17(23)9-10-19(18)27-2/h4,6,8-10,12,15,26H,3,5,7,11,13-14H2,1-2H3/p+1/t15-/m0/s1