5-(4-hydroxyphenyl)-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; methanesulfonic acid

Systemtic Name: 5-(4-hydroxyphenyl)-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; methanesulfonic acid Openeye Name: 5-(4-hydroxyphenyl)-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; methanesulfonic acid CAS Name: 5-(4-hydroxyphenyl)-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; methanesulfonic acid IUPAC Name: 5-(4-hydroxyphenyl)-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; methanesulfonic acid Traditional Name: 5-(4-hydroxyphenyl)-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; mesylic acid Formula: C20H27NO6S MolecularWeight: 409.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCNCC(C2=CC(=C1O)O)C3=CC=C(C=C3)O.CS(=O)(=O)O

Isomeric SMILES

CCCC1=C2CCNCC(C2=CC(=C1O)O)C3=CC=C(C=C3)O.CS(=O)(=O)O

InChI

InChI=1S/C19H23NO3.CH4O3S/c1-2-3-15-14-8-9-20-11-17(12-4-6-13(21)7-5-12)16(14)10-18(22)19(15)23;1-5(2,3)4/h4-7,10,17,20-23H,2-3,8-9,11H2,1H3;1H3,(H,2,3,4)