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

Systemtic Name: [1-[(3-chlorophenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium Openeye Name: [1-[(3-chlorophenyl)carbamothioyl]-4-piperidyl]-methyl-(tetrahydrofuran-2-ylmethyl)ammonium CAS Name: [1-[(3-chloroanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-oxolanylmethyl)ammonium IUPAC Name: [1-[(3-chlorophenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium Traditional Name: [1-[(3-chlorophenyl)thiocarbamoyl]-4-piperidyl]-methyl-(tetrahydrofurfuryl)ammonium Formula: C18H27ClN3OS+ MolecularWeight: 368.94448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCCO1)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+](CC1CCCO1)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H26ClN3OS/c1-21(13-17-6-3-11-23-17)16-7-9-22(10-8-16)18(24)20-15-5-2-4-14(19)12-15/h2,4-5,12,16-17H,3,6-11,13H2,1H3,(H,20,24)/p+1