methyl-[2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: methyl-[2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-(isopropylamino)-2-oxo-ethyl]-methyl-[2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-2-oxo-ethyl]ammonium CAS Name: methyl-[2-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: methyl-[2-[(5-methylthiophen-2-yl)methyl-phenethylamino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-(isopropylamino)-2-keto-ethyl]-[2-keto-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]ethyl]-methyl-ammonium Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+](C)CC(=O)NC(C)C

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+](C)CC(=O)NC(C)C

InChI

InChI=1S/C22H31N3O2S/c1-17(2)23-21(26)15-24(4)16-22(27)25(14-20-11-10-18(3)28-20)13-12-19-8-6-5-7-9-19/h5-11,17H,12-16H2,1-4H3,(H,23,26)/p+1