4-isothiocyanato-1-(phenylmethyl)piperidin-1-ium

Systemtic Name: 4-isothiocyanato-1-(phenylmethyl)piperidin-1-ium Openeye Name: 1-benzyl-4-isothiocyanato-piperidin-1-ium CAS Name: 4-isothiocyanato-1-(phenylmethyl)piperidin-1-ium IUPAC Name: 1-benzyl-4-isothiocyanatopiperidin-1-ium Traditional Name: 1-benzyl-4-isothiocyanato-piperidin-1-ium Formula: C13H17N2S+ MolecularWeight: 233.35248

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N=C=S)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1N=C=S)CC2=CC=CC=C2

InChI

InChI=1S/C13H16N2S/c16-11-14-13-6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,13H,6-10H2/p+1