1-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-(2-naphthylsulfonyl)-4-[(1R,2S,4S)-norbornan-2-yl]piperazin-4-ium CAS Name: 1-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(2-naphthylsulfonyl)-4-[(1R,2S,4S)-norbornan-2-yl]piperazin-4-ium Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1CC2[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C[C@@H]2C[C@H]1C[C@@H]2[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H26N2O2S/c24-26(25,20-8-7-17-3-1-2-4-18(17)15-20)23-11-9-22(10-12-23)21-14-16-5-6-19(21)13-16/h1-4,7-8,15-16,19,21H,5-6,9-14H2/p+1/t16-,19+,21-/m0/s1