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

Systemtic Name: phenylazanyl-[3-(phenylmethylidene)-2-piperidin-1-ium-1-ylidene-cyclopentylidene]methanethiol Openeye Name: anilino-(3-benzylidene-2-piperidin-1-ium-1-ylidene-cyclopentylidene)methanethiol CAS Name: anilino-[3-(phenylmethylene)-2-(1-piperidin-1-iumylidene)cyclopentylidene]methanethiol IUPAC Name: anilino-(3-benzylidene-2-piperidin-1-ium-1-ylidenecyclopentylidene)methanethiol Traditional Name: anilino-(3-benzal-2-piperidin-1-ium-1-ylidene-cyclopentylidene)methanethiol Formula: C24H27N2S+ MolecularWeight: 375.54958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2S/c27-24(25-21-12-6-2-7-13-21)22-15-14-20(18-19-10-4-1-5-11-19)23(22)26-16-8-3-9-17-26/h1-2,4-7,10-13,18H,3,8-9,14-17H2,(H,25,27)/p+1