(4-azanyl-3-methyl-phenyl)-diethyl-(2-methoxyethyl)azanium; 4-methylbenzenesulfonic acid

Systemtic Name: (4-azanyl-3-methyl-phenyl)-diethyl-(2-methoxyethyl)azanium; 4-methylbenzenesulfonic acid Openeye Name: (4-amino-3-methyl-phenyl)-diethyl-(2-methoxyethyl)ammonium; 4-methylbenzenesulfonic acid CAS Name: (4-amino-3-methylphenyl)-diethyl-(2-methoxyethyl)ammonium; 4-methylbenzenesulfonic acid IUPAC Name: (4-amino-3-methylphenyl)-diethyl-(2-methoxyethyl)azanium; 4-methylbenzenesulfonic acid Traditional Name: (4-amino-3-methyl-phenyl)-diethyl-(2-methoxyethyl)ammonium; tosylic acid Formula: C28H41N2O7S2+ MolecularWeight: 581.76434

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCOC)C1=CC(=C(C=C1)N)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[N+](CC)(CCOC)C1=CC(=C(C=C1)N)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H25N2O.2C7H8O3S/c1-5-16(6-2,9-10-17-4)13-7-8-14(15)12(3)11-13;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-8,11H,5-6,9-10,15H2,1-4H3;2*2-5H,1H3,(H,8,9,10)/q+1;;