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

Systemtic Name: (3-chlorophenyl)-[(3S)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-3-yl]methanone Formula: C21H25ClNO3+ MolecularWeight: 374.8811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO3/c1-2-26-20-11-15(8-9-19(20)24)13-23-10-4-6-17(14-23)21(25)16-5-3-7-18(22)12-16/h3,5,7-9,11-12,17,24H,2,4,6,10,13-14H2,1H3/p+1/t17-/m0/s1