N2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N2,3-dimethyl-quinolin-1-ium-2,6-diamine

Systemtic Name: N2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N2,3-dimethyl-quinolin-1-ium-2,6-diamine Openeye Name: N2-[(3S)-1,1-dioxothiolan-3-yl]-N2,3-dimethyl-quinolin-1-ium-2,6-diamine CAS Name: N2-[(3S)-1,1-dioxo-3-thiolanyl]-N2,3-dimethylquinolin-1-ium-2,6-diamine IUPAC Name: 2-N-[(3S)-1,1-dioxothiolan-3-yl]-2-N,3-dimethylquinolin-1-ium-2,6-diamine Traditional Name: (6-amino-3-methyl-quinolin-1-ium-2-yl)-[(3S)-1,1-diketothiolan-3-yl]-methyl-amine Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C2C=CC(=CC2=C1)N)N(C)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C([NH+]=C2C=CC(=CC2=C1)N)N(C)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C15H19N3O2S/c1-10-7-11-8-12(16)3-4-14(11)17-15(10)18(2)13-5-6-21(19,20)9-13/h3-4,7-8,13H,5-6,9,16H2,1-2H3/p+1/t13-/m0/s1