N-methyl-N-[3-(2-methylphenoxy)propyl]aniline sulfate

Systemtic Name: N-methyl-N-[3-(2-methylphenoxy)propyl]aniline sulfate Openeye Name: N-methyl-N-[3-(2-methylphenoxy)propyl]aniline sulfate CAS Name: N-methyl-N-[3-(2-methylphenoxy)propyl]aniline sulfate IUPAC Name: N-methyl-N-[3-(2-methylphenoxy)propyl]aniline sulfate Traditional Name: methyl-[3-(2-methylphenoxy)propyl]-phenyl-amine sulfate Formula: C17H21NO5S-2 MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCN(C)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCCN(C)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C17H21NO.H2O4S/c1-15-9-6-7-12-17(15)19-14-8-13-18(2)16-10-4-3-5-11-16;1-5(2,3)4/h3-7,9-12H,8,13-14H2,1-2H3;(H2,1,2,3,4)/p-2