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

Systemtic Name: 5-(4-hydroxyphenyl)-9-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; methanesulfonic acid Openeye Name: 5-(4-hydroxyphenyl)-9-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; methanesulfonic acid CAS Name: 5-(4-hydroxyphenyl)-9-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; methanesulfonic acid IUPAC Name: 5-(4-hydroxyphenyl)-9-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; methanesulfonic acid Traditional Name: 5-(4-hydroxyphenyl)-9-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; mesylic acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCNCC(C2=CC(=C1O)O)C3=CC=C(C=C3)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C2CCNCC(C2=CC(=C1O)O)C3=CC=C(C=C3)O.CS(=O)(=O)O

InChI

InChI=1S/C17H19NO3.CH4O3S/c1-10-13-6-7-18-9-15(11-2-4-12(19)5-3-11)14(13)8-16(20)17(10)21;1-5(2,3)4/h2-5,8,15,18-21H,6-7,9H2,1H3;1H3,(H,2,3,4)