4-chloranyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]naphthalen-1-ol

Systemtic Name: 4-chloranyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]naphthalen-1-ol Openeye Name: 4-chloro-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol CAS Name: 4-chloro-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1-naphthalenol IUPAC Name: 4-chloro-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]naphthalen-1-ol Traditional Name: 4-chloro-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1-naphthol Formula: C19H20ClN2O3S2+ MolecularWeight: 423.9567

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C3=CC=CC=C3C(=C2)Cl)O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C3=CC=CC=C3C(=C2)Cl)O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H19ClN2O3S2/c20-17-12-14(19(23)16-5-2-1-4-15(16)17)13-21-7-9-22(10-8-21)27(24,25)18-6-3-11-26-18/h1-6,11-12,23H,7-10,13H2/p+1