[3-(1,3-benzodioxol-5-ylmethylidene)-2-piperidin-1-ium-1-ylidene-cyclopentylidene]-phenylazanyl-methanethiol

Systemtic Name: [3-(1,3-benzodioxol-5-ylmethylidene)-2-piperidin-1-ium-1-ylidene-cyclopentylidene]-phenylazanyl-methanethiol Openeye Name: anilino-[3-(1,3-benzodioxol-5-ylmethylene)-2-piperidin-1-ium-1-ylidene-cyclopentylidene]methanethiol CAS Name: anilino-[3-(1,3-benzodioxol-5-ylmethylidene)-2-(1-piperidin-1-iumylidene)cyclopentylidene]methanethiol IUPAC Name: anilino-[3-(1,3-benzodioxol-5-ylmethylidene)-2-piperidin-1-ium-1-ylidenecyclopentylidene]methanethiol Traditional Name: anilino-(2-piperidin-1-ium-1-ylidene-3-piperonylidene-cyclopentylidene)methanethiol Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C(=CC3=CC4=C(C=C3)OCO4)CCC2=C(NC5=CC=CC=C5)S)CC1

Isomeric SMILES

C1CC[N+](=C2C(=CC3=CC4=C(C=C3)OCO4)CCC2=C(NC5=CC=CC=C5)S)CC1

InChI

InChI=1S/C25H26N2O2S/c30-25(26-20-7-3-1-4-8-20)21-11-10-19(24(21)27-13-5-2-6-14-27)15-18-9-12-22-23(16-18)29-17-28-22/h1,3-4,7-9,12,15-16H,2,5-6,10-11,13-14,17H2,(H,26,30)/p+1