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

Systemtic Name: methyl-[1-[(3-methylphenyl)carbamothioyl]piperidin-4-yl]-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: methyl-(2-morpholin-4-ium-4-ylethyl)-[1-(m-tolylcarbamothioyl)-4-piperidyl]ammonium CAS Name: methyl-[1-[(3-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: methyl-[1-[(3-methylphenyl)carbamothioyl]piperidin-4-yl]-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: methyl-(2-morpholin-4-ium-4-ylethyl)-[1-(m-tolylthiocarbamoyl)-4-piperidyl]ammonium Formula: C20H34N4OS+2 MolecularWeight: 378.57516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4OS/c1-17-4-3-5-18(16-17)21-20(26)24-8-6-19(7-9-24)22(2)10-11-23-12-14-25-15-13-23/h3-5,16,19H,6-15H2,1-2H3,(H,21,26)/p+2