N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-7-chloranyl-quinolin-1-ium-4-amine

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-7-chloranyl-quinolin-1-ium-4-amine Openeye Name: 7-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]quinolin-1-ium-4-amine CAS Name: 7-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-4-quinolin-1-iumamine IUPAC Name: 7-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]quinolin-1-ium-4-amine Traditional Name: (7-chloroquinolin-1-ium-4-yl)-[(3S)-1,1-diketothiolan-3-yl]amine Formula: C13H14ClN2O2S+ MolecularWeight: 297.78046

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC2=C3C=CC(=CC3=[NH+]C=C2)Cl

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC2=C3C=CC(=CC3=[NH+]C=C2)Cl

InChI

InChI=1S/C13H13ClN2O2S/c14-9-1-2-11-12(3-5-15-13(11)7-9)16-10-4-6-19(17,18)8-10/h1-3,5,7,10H,4,6,8H2,(H,15,16)/p+1/t10-/m0/s1