[3-(naphthalen-1-ylmethylidene)-2-piperidin-1-ium-1-ylidene-cyclopentylidene]-phenylazanyl-methanethiol

Systemtic Name: [3-(naphthalen-1-ylmethylidene)-2-piperidin-1-ium-1-ylidene-cyclopentylidene]-phenylazanyl-methanethiol Openeye Name: anilino-[3-(1-naphthylmethylene)-2-piperidin-1-ium-1-ylidene-cyclopentylidene]methanethiol CAS Name: anilino-[3-(1-naphthalenylmethylidene)-2-(1-piperidin-1-iumylidene)cyclopentylidene]methanethiol IUPAC Name: anilino-[3-(naphthalen-1-ylmethylidene)-2-piperidin-1-ium-1-ylidenecyclopentylidene]methanethiol Traditional Name: anilino-[3-(1-naphthylmethylene)-2-piperidin-1-ium-1-ylidene-cyclopentylidene]methanethiol Formula: C28H29N2S+ MolecularWeight: 425.60826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C(=CC3=CC=CC4=CC=CC=C43)CCC2=C(NC5=CC=CC=C5)S)CC1

Isomeric SMILES

C1CC[N+](=C2C(=CC3=CC=CC4=CC=CC=C43)CCC2=C(NC5=CC=CC=C5)S)CC1

InChI

InChI=1S/C28H28N2S/c31-28(29-24-13-3-1-4-14-24)26-17-16-23(27(26)30-18-7-2-8-19-30)20-22-12-9-11-21-10-5-6-15-25(21)22/h1,3-6,9-15,20H,2,7-8,16-19H2,(H,29,31)/p+1