4-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]butan-1-ol; 3-methylbenzenesulfonic acid

Systemtic Name: 4-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]butan-1-ol; 3-methylbenzenesulfonic acid Openeye Name: 4-(4-amino-N-ethyl-3-methyl-anilino)butan-1-ol; 3-methylbenzenesulfonic acid CAS Name: 4-(4-amino-N-ethyl-3-methylanilino)-1-butanol; 3-methylbenzenesulfonic acid IUPAC Name: 4-(4-amino-N-ethyl-3-methylanilino)butan-1-ol; 3-methylbenzenesulfonic acid Traditional Name: 4-(4-amino-N-ethyl-3-methyl-anilino)butan-1-ol; 3-methylbesylic acid Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O.C7H8O3S/c1-3-15(8-4-5-9-16)12-6-7-13(14)11(2)10-12;1-6-3-2-4-7(5-6)11(8,9)10/h6-7,10,16H,3-5,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)