1-[2,5-bis(chloranyl)phenyl]sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,5-dichlorophenyl)sulfonyl-4-(1-naphthylmethyl)piperazin-4-ium CAS Name: 1-(2,5-dichlorophenyl)sulfonyl-4-(1-naphthalenylmethyl)piperazin-4-ium IUPAC Name: 1-(2,5-dichlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,5-dichlorophenyl)sulfonyl-4-(1-naphthylmethyl)piperazin-4-ium Formula: C21H21Cl2N2O2S+ MolecularWeight: 436.37464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O2S/c22-18-8-9-20(23)21(14-18)28(26,27)25-12-10-24(11-13-25)15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14H,10-13,15H2/p+1