1-(3-phenylpentan-2-yl)pyridin-1-ium sulfate

Systemtic Name: 1-(3-phenylpentan-2-yl)pyridin-1-ium sulfate Openeye Name: 1-(1-methyl-2-phenyl-butyl)pyridin-1-ium sulfate CAS Name: 1-(3-phenylpentan-2-yl)pyridin-1-ium sulfate IUPAC Name: 1-(3-phenylpentan-2-yl)pyridin-1-ium sulfate Traditional Name: 1-(1-methyl-2-phenyl-butyl)pyridin-1-ium sulfate Formula: C16H20NO4S- MolecularWeight: 322.3993

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C)[N+]2=CC=CC=C2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(C)[N+]2=CC=CC=C2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H20N.H2O4S/c1-3-16(15-10-6-4-7-11-15)14(2)17-12-8-5-9-13-17;1-5(2,3)4/h4-14,16H,3H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2