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

Systemtic Name: [1-[(2-ethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [1-[(2-ethylphenyl)carbamothioyl]-4-piperidyl]-methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [1-[(2-ethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [1-[(2-ethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [1-[(2-ethylphenyl)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:

CCC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)CC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)CC[NH+]3CCOCC3

InChI

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