(5R)-7-chloranyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium hydrate hydrochloride

Systemtic Name: (5R)-7-chloranyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium hydrate hydrochloride Openeye Name: (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium hydrate hydrochloride CAS Name: (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium hydrate hydrochloride IUPAC Name: (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium hydrate hydrochloride Traditional Name: (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium hydrate hydrochloride Formula: C11H18Cl2NO+ MolecularWeight: 251.17272

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CCC2=C1C=C(C=C2)Cl.O.Cl

Isomeric SMILES

C[C@H]1C[NH2+]CCC2=C1C=C(C=C2)Cl.O.Cl

InChI

InChI=1S/C11H14ClN.ClH.H2O/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;;/h2-3,6,8,13H,4-5,7H2,1H3;1H;1H2/p+1/t8-;;/m0../s1