4-[methyl(naphthalen-2-ylmethyl)azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[methyl(naphthalen-2-ylmethyl)azaniumyl]butane-1-sulfonate Openeye Name: 4-[methyl(2-naphthylmethyl)ammonio]butane-1-sulfonate CAS Name: 4-[methyl(2-naphthalenylmethyl)ammonio]-1-butanesulfonate IUPAC Name: 4-[methyl(naphthalen-2-ylmethyl)azaniumyl]butane-1-sulfonate Traditional Name: 4-[methyl(2-naphthylmethyl)ammonio]butane-1-sulfonate Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCS(=O)(=O)[O-])CC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

C[NH+](CCCCS(=O)(=O)[O-])CC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H21NO3S/c1-17(10-4-5-11-21(18,19)20)13-14-8-9-15-6-2-3-7-16(15)12-14/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,18,19,20)