1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbothioamide

Systemtic Name: 1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbothioamide Openeye Name: 1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbothioamide CAS Name: 1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumcarbothioamide IUPAC Name: 1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbothioamide Traditional Name: 1-(3-chlorobenzyl)piperidin-1-ium-4-carbothioamide Formula: C13H18ClN2S+ MolecularWeight: 269.81342

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=S)N)CC2=CC(=CC=C2)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=S)N)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H17ClN2S/c14-12-3-1-2-10(8-12)9-16-6-4-11(5-7-16)13(15)17/h1-3,8,11H,4-7,9H2,(H2,15,17)/p+1