[1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium Openeye Name: [1-[(3-chloro-2-methyl-phenyl)carbamothioyl]-4-piperidyl]-methyl-(tetrahydrofuran-2-ylmethyl)ammonium CAS Name: [1-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-oxolanylmethyl)ammonium IUPAC Name: [1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium Traditional Name: [1-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-methyl-(tetrahydrofurfuryl)ammonium Formula: C19H29ClN3OS+ MolecularWeight: 382.97106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)[NH+](C)CC3CCCO3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)[NH+](C)CC3CCCO3

InChI

InChI=1S/C19H28ClN3OS/c1-14-17(20)6-3-7-18(14)21-19(25)23-10-8-15(9-11-23)22(2)13-16-5-4-12-24-16/h3,6-7,15-16H,4-5,8-13H2,1-2H3,(H,21,25)/p+1