(5S)-9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol

Systemtic Name: (5S)-9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol Openeye Name: (5S)-9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol CAS Name: (5S)-9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol IUPAC Name: (5S)-9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol Traditional Name: (5S)-9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol Formula: C16H17ClNO3+ MolecularWeight: 306.76408

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O

Isomeric SMILES

C1C[NH2+]C[C@H](C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/p+1/t13-/m0/s1