[1-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium

Systemtic Name: [1-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium Openeye Name: [1-[(5-chloro-2-methoxy-phenyl)carbamothioyl]-4-piperidyl]-methyl-(tetrahydrofuran-2-ylmethyl)ammonium CAS Name: [1-[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-oxolanylmethyl)ammonium IUPAC Name: [1-[(5-chloro-2-methoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium Traditional Name: [1-[(5-chloro-2-methoxy-phenyl)thiocarbamoyl]-4-piperidyl]-methyl-(tetrahydrofurfuryl)ammonium Formula: C19H29ClN3O2S+ MolecularWeight: 398.97046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O2S/c1-22(13-16-4-3-11-25-16)15-7-9-23(10-8-15)19(26)21-17-12-14(20)5-6-18(17)24-2/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,21,26)/p+1