methyl-[4-[2-(2-methylpropyl)phenyl]-3-phenyl-butyl]azanium sulfate

Systemtic Name: methyl-[4-[2-(2-methylpropyl)phenyl]-3-phenyl-butyl]azanium sulfate Openeye Name: [4-(2-isobutylphenyl)-3-phenyl-butyl]-methyl-ammonium sulfate CAS Name: methyl-[4-[2-(2-methylpropyl)phenyl]-3-phenylbutyl]ammonium sulfate IUPAC Name: methyl-[4-[2-(2-methylpropyl)phenyl]-3-phenylbutyl]azanium sulfate Traditional Name: [4-(2-isobutylphenyl)-3-phenyl-butyl]-methyl-ammonium sulfate Formula: C21H30NO4S- MolecularWeight: 392.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC=C1CC(CC[NH2+]C)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=CC=C1CC(CC[NH2+]C)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C21H29N.H2O4S/c1-17(2)15-19-11-7-8-12-20(19)16-21(13-14-22-3)18-9-5-4-6-10-18;1-5(2,3)4/h4-12,17,21-22H,13-16H2,1-3H3;(H2,1,2,3,4)/p-1