(2S)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[4-[(4-chlorophenyl)methyleneamino]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[4-[(4-chlorobenzylidene)amino]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)N=CC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)N=CC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H25ClN2O2/c22-18-6-4-17(5-7-18)14-23-19-8-10-21(11-9-19)26-16-20(25)15-24-12-2-1-3-13-24/h4-11,14,20,25H,1-3,12-13,15-16H2/p+1/t20-/m0/s1