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

Systemtic Name: (3-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-(3-ethoxy-2-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=CC=CC(=C1O)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO3/c1-2-26-19-10-4-7-17(21(19)25)14-23-11-5-8-16(13-23)20(24)15-6-3-9-18(22)12-15/h3-4,6-7,9-10,12,16,25H,2,5,8,11,13-14H2,1H3/p+1/t16-/m0/s1