(2Z)-1-(2-hydroxyphenyl)-2-[(7S)-7-phenyl-1,4-diazepan-1-ium-5-ylidene]ethanone

Systemtic Name: (2Z)-1-(2-hydroxyphenyl)-2-[(7S)-7-phenyl-1,4-diazepan-1-ium-5-ylidene]ethanone Openeye Name: (2Z)-1-(2-hydroxyphenyl)-2-[(7S)-7-phenyl-1,4-diazepan-1-ium-5-ylidene]ethanone CAS Name: (2Z)-1-(2-hydroxyphenyl)-2-[(7S)-7-phenyl-1,4-diazepan-1-ium-5-ylidene]ethanone IUPAC Name: (2Z)-1-(2-hydroxyphenyl)-2-[(7S)-7-phenyl-1,4-diazepan-1-ium-5-ylidene]ethanone Traditional Name: (2Z)-1-(2-hydroxyphenyl)-2-[(7S)-7-phenyl-1,4-diazepan-1-ium-5-ylidene]ethanone Formula: C19H21N2O2+ MolecularWeight: 309.38224

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=CC(=O)C2=CC=CC=C2O)CC([NH2+]1)C3=CC=CC=C3

Isomeric SMILES

C1CN/C(=C\C(=O)C2=CC=CC=C2O)/C[C@H]([NH2+]1)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2/c22-18-9-5-4-8-16(18)19(23)13-15-12-17(21-11-10-20-15)14-6-2-1-3-7-14/h1-9,13,17,20-22H,10-12H2/p+1/b15-13-/t17-/m0/s1