1-(naphthalen-1-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-naphthylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-naphthalenylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-naphthylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Formula: C25H31N2O2S+ MolecularWeight: 423.59084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C)C

InChI

InChI=1S/C25H30N2O2S/c1-18-16-19(2)21(4)25(20(18)3)30(28,29)27-14-12-26(13-15-27)17-23-10-7-9-22-8-5-6-11-24(22)23/h5-11,16H,12-15,17H2,1-4H3/p+1