(3-carbamothioylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-carbamothioylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (3-carbamothioylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (3-carbamothioylphenyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3-carbamothioylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-(3-thiocarbamoylbenzyl)ammonium Formula: C15H25N3S+2 MolecularWeight: 279.4441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=CC(=C2)C(=S)N

InChI

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