cyclopentyl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium

Systemtic Name: cyclopentyl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: cyclopentyl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]-4-piperidyl]ammonium CAS Name: cyclopentyl-methyl-[1-[[3-(methylthio)anilino]-sulfanylidenemethyl]-4-piperidinyl]ammonium IUPAC Name: cyclopentyl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: cyclopentyl-methyl-[1-[[3-(methylthio)phenyl]thiocarbamoyl]-4-piperidyl]ammonium Formula: C19H30N3S2+ MolecularWeight: 364.5916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCC1)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

C[NH+](C1CCCC1)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C19H29N3S2/c1-21(16-7-3-4-8-16)17-10-12-22(13-11-17)19(23)20-15-6-5-9-18(14-15)24-2/h5-6,9,14,16-17H,3-4,7-8,10-13H2,1-2H3,(H,20,23)/p+1