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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H24ClNO3/c22-18-8-4-16(5-9-18)21(25)17-6-10-20(11-7-17)26-15-19(24)14-23-12-2-1-3-13-23/h4-11,19,24H,1-3,12-15H2/p+1/t19-/m0/s1