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

Systemtic Name: (2-chlorophenyl)methyl-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (2-chlorophenyl)methyl-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: (2-chlorophenyl)methyl-[[4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: (2-chlorophenyl)methyl-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: (2-chlorobenzyl)-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]ammonium Formula: C22H31ClN2O2+2 MolecularWeight: 390.94674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CC3=CC=CC=C3Cl)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CC3=CC=CC=C3Cl)O

InChI

InChI=1S/C22H29ClN2O2/c23-22-7-3-2-6-19(22)15-24-14-18-8-10-21(11-9-18)27-17-20(26)16-25-12-4-1-5-13-25/h2-3,6-11,20,24,26H,1,4-5,12-17H2/p+2/t20-/m0/s1