1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-ylidene]-N-(furan-2-ylmethyl)-1-methylsulfanyl-methanamine

Systemtic Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-ylidene]-N-(furan-2-ylmethyl)-1-methylsulfanyl-methanamine Openeye Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-ylidene]-N-(2-furylmethyl)-1-methylsulfanyl-methanamine CAS Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumylidene]-N-(2-furanylmethyl)-1-(methylthio)methanamine IUPAC Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-ylidene]-N-(furan-2-ylmethyl)-1-methylsulfanylmethanamine Traditional Name: [[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-ylidene]-(methylthio)methyl]-(2-furfuryl)amine Formula: C14H23N2OS+ MolecularWeight: 267.41022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[N+](=C(NCC2=CC=CO2)SC)C1)C

Isomeric SMILES

C[C@H]1C[C@@H](C[N+](=C(NCC2=CC=CO2)SC)C1)C

InChI

InChI=1S/C14H22N2OS/c1-11-7-12(2)10-16(9-11)14(18-3)15-8-13-5-4-6-17-13/h4-6,11-12H,7-10H2,1-3H3/p+1/t11-,12-/m0/s1