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

Systemtic Name: 4-[(4-azanyl-3-ethyl-phenyl)-ethyl-amino]butan-1-ol; 4-methylbenzenesulfonic acid Openeye Name: 4-(4-amino-N,3-diethyl-anilino)butan-1-ol; 4-methylbenzenesulfonic acid CAS Name: 4-(4-amino-N,3-diethylanilino)-1-butanol; 4-methylbenzenesulfonic acid IUPAC Name: 4-(4-amino-N,3-diethylanilino)butan-1-ol; 4-methylbenzenesulfonic acid Traditional Name: 4-(4-amino-N,3-diethyl-anilino)butan-1-ol; tosylic acid Formula: C28H40N2O7S2 MolecularWeight: 580.7564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)N(CC)CCCCO)N.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)N(CC)CCCCO)N.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H24N2O.2C7H8O3S/c1-3-12-11-13(7-8-14(12)15)16(4-2)9-5-6-10-17;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-8,11,17H,3-6,9-10,15H2,1-2H3;2*2-5H,1H3,(H,8,9,10)