1-methyl-4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(2-naphthylsulfonyl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(2-naphthalenylsulfonyl)-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(2-naphthylsulfonyl)-1,4-diazepan-1-ium Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H20N2O2S/c1-17-9-4-10-18(12-11-17)21(19,20)16-8-7-14-5-2-3-6-15(14)13-16/h2-3,5-8,13H,4,9-12H2,1H3/p+1