methyl-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: methyl-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-(isopropylamino)-2-oxo-ethyl]-methyl-[2-oxo-2-[2-(p-tolylmethylsulfanyl)ethylamino]ethyl]ammonium CAS Name: methyl-[2-[2-[(4-methylphenyl)methylthio]ethylamino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: methyl-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-(isopropylamino)-2-keto-ethyl]-[2-keto-2-[2-[(4-methylbenzyl)thio]ethylamino]ethyl]-methyl-ammonium Formula: C18H30N3O2S+ MolecularWeight: 352.5147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+](C)CC(=O)NC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+](C)CC(=O)NC(C)C

InChI

InChI=1S/C18H29N3O2S/c1-14(2)20-18(23)12-21(4)11-17(22)19-9-10-24-13-16-7-5-15(3)6-8-16/h5-8,14H,9-13H2,1-4H3,(H,19,22)(H,20,23)/p+1