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

Systemtic Name: N2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-ethyl-N2-methyl-quinolin-1-ium-2,6-diamine Openeye Name: N2-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-N2-methyl-quinolin-1-ium-2,6-diamine CAS Name: N2-[(3S)-1,1-dioxo-3-thiolanyl]-3-ethyl-N2-methylquinolin-1-ium-2,6-diamine IUPAC Name: 2-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-2-N-methylquinolin-1-ium-2,6-diamine Traditional Name: (6-amino-3-ethyl-quinolin-1-ium-2-yl)-[(3S)-1,1-diketothiolan-3-yl]-methyl-amine Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([NH+]=C2C=CC(=CC2=C1)N)N(C)C3CCS(=O)(=O)C3

Isomeric SMILES

CCC1=C([NH+]=C2C=CC(=CC2=C1)N)N(C)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H21N3O2S/c1-3-11-8-12-9-13(17)4-5-15(12)18-16(11)19(2)14-6-7-22(20,21)10-14/h4-5,8-9,14H,3,6-7,10,17H2,1-2H3/p+1/t14-/m0/s1