(4-methoxyphenyl)sulfonyl-(2-methylpropyl)-(phenylmethyl)-propyl-azanium

Systemtic Name: (4-methoxyphenyl)sulfonyl-(2-methylpropyl)-(phenylmethyl)-propyl-azanium Openeye Name: benzyl-isobutyl-(4-methoxyphenyl)sulfonyl-propyl-ammonium CAS Name: (4-methoxyphenyl)sulfonyl-(2-methylpropyl)-(phenylmethyl)-propylammonium IUPAC Name: benzyl-(4-methoxyphenyl)sulfonyl-(2-methylpropyl)-propylazanium Traditional Name: benzyl-isobutyl-(4-methoxyphenyl)sulfonyl-propyl-ammonium Formula: C21H30NO3S+ MolecularWeight: 376.5328

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC1=CC=CC=C1)(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC[N+](CC1=CC=CC=C1)(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H30NO3S/c1-5-15-22(16-18(2)3,17-19-9-7-6-8-10-19)26(23,24)21-13-11-20(25-4)12-14-21/h6-14,18H,5,15-17H2,1-4H3/q+1