[(1S)-2-(cyclohexylcarbamothioylamino)-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-(cyclohexylthiocarbamoylamino)-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C18H30N3OS+ MolecularWeight: 336.5153

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1CCCCC1)C2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1CCCCC1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C18H29N3OS/c1-21(2)17(14-8-7-11-16(12-14)22-3)13-19-18(23)20-15-9-5-4-6-10-15/h7-8,11-12,15,17H,4-6,9-10,13H2,1-3H3,(H2,19,20,23)/p+1/t17-/m1/s1