[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [1-[(3,4-dimethylphenyl)carbamothioyl]-4-piperidyl]-methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [1-[(3,4-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [1-[(3,4-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C21H36N4OS+2 MolecularWeight: 392.60174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)CC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)CC[NH+]3CCOCC3)C

InChI

InChI=1S/C21H34N4OS/c1-17-4-5-19(16-18(17)2)22-21(27)25-8-6-20(7-9-25)23(3)10-11-24-12-14-26-15-13-24/h4-5,16,20H,6-15H2,1-3H3,(H,22,27)/p+2