methyl N'-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N'-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 3-(1-benzylpiperidin-1-ium-4-yl)-2-methyl-1-(2-thienylsulfonyl)isothiourea CAS Name: N'-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-benzylpiperidin-1-ium-4-yl)-N-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 3-(1-benzylpiperidin-1-ium-4-yl)-2-methyl-1-(2-thienylsulfonyl)isothiourea Formula: C18H24N3O2S3+ MolecularWeight: 410.59706

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CC[NH+](CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CSC(=NC1CC[NH+](CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H23N3O2S3/c1-24-18(20-26(22,23)17-8-5-13-25-17)19-16-9-11-21(12-10-16)14-15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3,(H,19,20)/p+1