[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl]-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl]-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-[2-[[(3S)-1,1-dioxothiolan-3-yl]-propyl-amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(3S)-1,1-dioxo-3-thiolanyl]-propylamino]-2-oxoethyl]-methylammonium IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylazanium Traditional Name: [2-[[(3S)-1,1-diketothiolan-3-yl]-propyl-amino]-2-keto-ethyl]-[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)C[NH+](C)CC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)C[NH+](C)CC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C20H31N3O4S/c1-5-10-23(17-9-11-28(26,27)14-17)19(25)13-22(4)12-18(24)21-20-15(2)7-6-8-16(20)3/h6-8,17H,5,9-14H2,1-4H3,(H,21,24)/p+1/t17-/m0/s1