[1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium Openeye Name: [1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-piperidyl]-isopentyl-methyl-ammonium CAS Name: [1-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(3-methylbutyl)ammonium IUPAC Name: [1-[(2-ethyl-6-methylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium Traditional Name: [1-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-isoamyl-methyl-ammonium Formula: C21H36N3S+ MolecularWeight: 362.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N2CCC(CC2)[NH+](C)CCC(C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCC(CC2)[NH+](C)CCC(C)C)C

InChI

InChI=1S/C21H35N3S/c1-6-18-9-7-8-17(4)20(18)22-21(25)24-14-11-19(12-15-24)23(5)13-10-16(2)3/h7-9,16,19H,6,10-15H2,1-5H3,(H,22,25)/p+1