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

Systemtic Name: (4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-(3-ethoxy-2-hydroxy-benzyl)piperidin-1-ium-3-yl]methanone Formula: C21H25ClNO3+ MolecularWeight: 374.8811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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