[5-[2-(1-aza-4,7,10-triazoniacyclododec-1-yl)ethylazaniumyl]sulfonylnaphthalen-1-yl]-dimethyl-azanium

Systemtic Name: [5-[2-(1-aza-4,7,10-triazoniacyclododec-1-yl)ethylazaniumyl]sulfonylnaphthalen-1-yl]-dimethyl-azanium Openeye Name: [5-[2-(1-aza-4,7,10-triazoniacyclododec-1-yl)ethylammonio]sulfonyl-1-naphthyl]-dimethyl-ammonium CAS Name: [5-[2-(1-aza-4,7,10-triazoniacyclododec-1-yl)ethylammonio]sulfonyl-1-naphthalenyl]-dimethylammonium IUPAC Name: [5-[2-(1-aza-4,7,10-triazoniacyclododec-1-yl)ethylazaniumyl]sulfonylnaphthalen-1-yl]-dimethylazanium Traditional Name: [5-[2-(1-aza-4,7,10-triazoniacyclododec-1-yl)ethylammonio]sulfonyl-1-naphthyl]-dimethyl-ammonium Formula: C22H41N6O2S+5 MolecularWeight: 453.66494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)[NH2+]CCN3CC[NH2+]CC[NH2+]CC[NH2+]CC3

Isomeric SMILES

C[NH+](C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)[NH2+]CCN3CC[NH2+]CC[NH2+]CC[NH2+]CC3

InChI

InChI=1S/C22H36N6O2S/c1-27(2)21-7-3-6-20-19(21)5-4-8-22(20)31(29,30)26-15-18-28-16-13-24-11-9-23-10-12-25-14-17-28/h3-8,23-26H,9-18H2,1-2H3/p+5