1-[(2S)-1-naphthalen-2-ylsulfonylpropan-2-yl]azepan-1-ium

Systemtic Name: 1-[(2S)-1-naphthalen-2-ylsulfonylpropan-2-yl]azepan-1-ium Openeye Name: 1-[(1S)-1-methyl-2-(2-naphthylsulfonyl)ethyl]azepan-1-ium CAS Name: 1-[(2S)-1-(2-naphthalenylsulfonyl)propan-2-yl]azepan-1-ium IUPAC Name: 1-[(2S)-1-naphthalen-2-ylsulfonylpropan-2-yl]azepan-1-ium Traditional Name: 1-[(1S)-1-methyl-2-(2-naphthylsulfonyl)ethyl]azepan-1-ium Formula: C19H26NO2S+ MolecularWeight: 332.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC2=CC=CC=C2C=C1)[NH+]3CCCCCC3

Isomeric SMILES

C[C@@H](CS(=O)(=O)C1=CC2=CC=CC=C2C=C1)[NH+]3CCCCCC3

InChI

InChI=1S/C19H25NO2S/c1-16(20-12-6-2-3-7-13-20)15-23(21,22)19-11-10-17-8-4-5-9-18(17)14-19/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3/p+1/t16-/m0/s1