1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidin-1-ium

Systemtic Name: 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidin-1-ium Openeye Name: 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidin-1-ium CAS Name: 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidin-1-ium IUPAC Name: 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidin-1-ium Traditional Name: 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidin-1-ium Formula: C18H25N2S+ MolecularWeight: 301.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC(=CC=C2)N=C=S)[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(C2=CC(=CC=C2)N=C=S)[NH+]3CCCCC3

InChI

InChI=1S/C18H24N2S/c21-15-19-17-9-7-8-16(14-17)18(10-3-1-4-11-18)20-12-5-2-6-13-20/h7-9,14H,1-6,10-13H2/p+1