(Z)-[(3E)-3-[(3-nitrophenyl)methylidene]-2-piperidin-1-ium-1-ylidene-cyclopentylidene]-phenylazanyl-methanethiol

Systemtic Name: (Z)-[(3E)-3-[(3-nitrophenyl)methylidene]-2-piperidin-1-ium-1-ylidene-cyclopentylidene]-phenylazanyl-methanethiol Openeye Name: (Z)-anilino-[(3E)-3-[(3-nitrophenyl)methylene]-2-piperidin-1-ium-1-ylidene-cyclopentylidene]methanethiol CAS Name: (Z)-anilino-[(3E)-3-[(3-nitrophenyl)methylidene]-2-(1-piperidin-1-iumylidene)cyclopentylidene]methanethiol IUPAC Name: (Z)-anilino-[(3E)-3-[(3-nitrophenyl)methylidene]-2-piperidin-1-ium-1-ylidenecyclopentylidene]methanethiol Traditional Name: (Z)-anilino-[(3E)-3-(3-nitrobenzylidene)-2-piperidin-1-ium-1-ylidene-cyclopentylidene]methanethiol Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C(=CC3=CC(=CC=C3)[N+](=O)[O-])CCC2=C(NC4=CC=CC=C4)S)CC1

Isomeric SMILES

C1CC[N+](=C\2/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/CC/C2=C(\NC4=CC=CC=C4)/S)CC1

InChI

InChI=1S/C24H25N3O2S/c28-27(29)21-11-7-8-18(17-21)16-19-12-13-22(23(19)26-14-5-2-6-15-26)24(30)25-20-9-3-1-4-10-20/h1,3-4,7-11,16-17H,2,5-6,12-15H2,(H,25,30)/p+1/b19-16+