4-[(6-methoxynaphthalen-2-yl)methyl-methyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[(6-methoxynaphthalen-2-yl)methyl-methyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[(6-methoxy-2-naphthyl)methyl-methyl-ammonio]butane-1-sulfonate CAS Name: 4-[(6-methoxy-2-naphthalenyl)methyl-methylammonio]-1-butanesulfonate IUPAC Name: 4-[(6-methoxynaphthalen-2-yl)methyl-methylazaniumyl]butane-1-sulfonate Traditional Name: 4-[(6-methoxy-2-naphthyl)methyl-methyl-ammonio]butane-1-sulfonate Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCS(=O)(=O)[O-])CC1=CC2=C(C=C1)C=C(C=C2)OC

Isomeric SMILES

C[NH+](CCCCS(=O)(=O)[O-])CC1=CC2=C(C=C1)C=C(C=C2)OC

InChI

InChI=1S/C17H23NO4S/c1-18(9-3-4-10-23(19,20)21)13-14-5-6-16-12-17(22-2)8-7-15(16)11-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,19,20,21)