N-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N'-(phenylmethyl)carbamimidothioate

Systemtic Name: N-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N'-(phenylmethyl)carbamimidothioate Openeye Name: N'-benzyl-N-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]carbamimidothioate CAS Name: N-[(2R,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-N'-(phenylmethyl)carbamimidothioate IUPAC Name: N'-benzyl-N-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]carbamimidothioate Traditional Name: N'-benzyl-N-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]carbamimidothioate Formula: C15H23N3S MolecularWeight: 277.42822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1NC(=NCC2=CC=CC=C2)[S-])C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([NH+]1NC(=NCC2=CC=CC=C2)[S-])C

InChI

InChI=1S/C15H23N3S/c1-12-7-6-8-13(2)18(12)17-15(19)16-11-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3,(H2,16,17,19)/t12-,13+