methyl-(oxolan-2-ylmethyl)-[1-[(2,4,6-trimethylphenyl)carbamothioyl]piperidin-4-yl]azanium

Systemtic Name: methyl-(oxolan-2-ylmethyl)-[1-[(2,4,6-trimethylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: methyl-(tetrahydrofuran-2-ylmethyl)-[1-[(2,4,6-trimethylphenyl)carbamothioyl]-4-piperidyl]ammonium CAS Name: methyl-(2-oxolanylmethyl)-[1-[sulfanylidene-(2,4,6-trimethylanilino)methyl]-4-piperidinyl]ammonium IUPAC Name: methyl-(oxolan-2-ylmethyl)-[1-[(2,4,6-trimethylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: [1-(mesitylthiocarbamoyl)-4-piperidyl]-methyl-(tetrahydrofurfuryl)ammonium Formula: C21H34N3OS+ MolecularWeight: 376.57916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)N2CCC(CC2)[NH+](C)CC3CCCO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)N2CCC(CC2)[NH+](C)CC3CCCO3)C

InChI

InChI=1S/C21H33N3OS/c1-15-12-16(2)20(17(3)13-15)22-21(26)24-9-7-18(8-10-24)23(4)14-19-6-5-11-25-19/h12-13,18-19H,5-11,14H2,1-4H3,(H,22,26)/p+1