5-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]thiophene-2-carbaldehyde

Systemtic Name: 5-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]thiophene-2-carbaldehyde Openeye Name: 5-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxy-propyl]piperazin-4-ium-1-yl]thiophene-2-carbaldehyde CAS Name: 5-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1-piperazin-4-iumyl]-2-thiophenecarboxaldehyde IUPAC Name: 5-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-4-ium-1-yl]thiophene-2-carbaldehyde Traditional Name: 5-[4-[(2S)-3-(2-chlorobenzyl)oxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]thiophene-2-carbaldehyde Formula: C19H24ClN2O3S+ MolecularWeight: 395.92346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2Cl)O)C3=CC=C(S3)C=O

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COCC2=CC=CC=C2Cl)O)C3=CC=C(S3)C=O

InChI

InChI=1S/C19H23ClN2O3S/c20-18-4-2-1-3-15(18)13-25-14-16(24)11-21-7-9-22(10-8-21)19-6-5-17(12-23)26-19/h1-6,12,16,24H,7-11,13-14H2/p+1/t16-/m0/s1