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

Systemtic Name: 9-chloranyl-5-(4-hydroxyphenyl)-3-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol; methanesulfonic acid Openeye Name: 9-chloro-5-(4-hydroxyphenyl)-3-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol; methanesulfonic acid CAS Name: 9-chloro-5-(4-hydroxyphenyl)-3-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol; methanesulfonic acid IUPAC Name: 9-chloro-5-(4-hydroxyphenyl)-3-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol; methanesulfonic acid Traditional Name: 9-chloro-5-(4-hydroxyphenyl)-3-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol; mesylic acid Formula: C20H26ClNO6S MolecularWeight: 443.94154

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)O)O)O)Cl.CS(=O)(=O)O

Isomeric SMILES

CCCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)O)O)O)Cl.CS(=O)(=O)O

InChI

InChI=1S/C19H22ClNO3.CH4O3S/c1-2-8-21-9-7-14-15(10-17(23)19(24)18(14)20)16(11-21)12-3-5-13(22)6-4-12;1-5(2,3)4/h3-6,10,16,22-24H,2,7-9,11H2,1H3;1H3,(H,2,3,4)