4-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]-N,N-diethyl-3-methyl-aniline; 4-methylbenzenesulfonic acid

Systemtic Name: 4-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]-N,N-diethyl-3-methyl-aniline; 4-methylbenzenesulfonic acid Openeye Name: 4-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]-N,N-diethyl-3-methyl-aniline; 4-methylbenzenesulfonic acid CAS Name: 4-[bis[4-(diethylamino)-2-methylphenyl]methyl]-N,N-diethyl-3-methylaniline; 4-methylbenzenesulfonic acid IUPAC Name: 4-[bis[4-(diethylamino)-2-methylphenyl]methyl]-N,N-diethyl-3-methylaniline; 4-methylbenzenesulfonic acid Traditional Name: [4-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]-3-methyl-phenyl]-diethyl-amine; tosylic acid Formula: C41H57N3O3S MolecularWeight: 671.97458

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)C3=C(C=C(C=C3)N(CC)CC)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)C3=C(C=C(C=C3)N(CC)CC)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C34H49N3.C7H8O3S/c1-10-35(11-2)28-16-19-31(25(7)22-28)34(32-20-17-29(23-26(32)8)36(12-3)13-4)33-21-18-30(24-27(33)9)37(14-5)15-6;1-6-2-4-7(5-3-6)11(8,9)10/h16-24,34H,10-15H2,1-9H3;2-5H,1H3,(H,8,9,10)