[1-(2-ethyl-6-ethylimino-4-thia-1-azoniabicyclo[3.1.0]hexan-1-yl)-4H-quinolin-4-yl] hydrogen carbonate

Systemtic Name: [1-(2-ethyl-6-ethylimino-4-thia-1-azoniabicyclo[3.1.0]hexan-1-yl)-4H-quinolin-4-yl] hydrogen carbonate Openeye Name: [1-(2-ethyl-6-ethylimino-4-thia-1-azoniabicyclo[3.1.0]hexan-1-yl)-4H-quinolin-4-yl] hydrogen carbonate CAS Name: carbonic acid [1-(2-ethyl-6-ethylimino-4-thia-1-azoniabicyclo[3.1.0]hexan-1-yl)-4H-quinolin-4-yl] ester IUPAC Name: [1-(2-ethyl-6-ethylimino-4-thia-1-azoniabicyclo[3.1.0]hexan-1-yl)-4H-quinolin-4-yl] hydrogen carbonate Traditional Name: carbonic acid [1-(2-ethyl-6-ethylimino-4-thia-1-azoniabicyclo[3.1.0]hexan-1-yl)-4H-quinolin-4-yl] ester Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CSC2[N+]1(C2=NCC)N3C=CC(C4=CC=CC=C43)OC(=O)O

Isomeric SMILES

CCC1CSC2[N+]1(C2=NCC)N3C=CC(C4=CC=CC=C43)OC(=O)O

InChI

InChI=1S/C18H21N3O3S/c1-3-12-11-25-17-16(19-4-2)21(12,17)20-10-9-15(24-18(22)23)13-7-5-6-8-14(13)20/h5-10,12,15,17H,3-4,11H2,1-2H3/p+1