3-(1-ethyl-1H-benzo[e]indol-3-ium-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(1-ethyl-1H-benzo[e]indol-3-ium-3-yl)propane-1-sulfonic acid Openeye Name: 3-(1-ethyl-1H-benzo[e]indol-3-ium-3-yl)propane-1-sulfonic acid CAS Name: 3-(1-ethyl-1H-benzo[e]indol-3-ium-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(1-ethyl-1H-benzo[e]indol-3-ium-3-yl)propane-1-sulfonic acid Traditional Name: 3-(1-ethyl-1H-benz[e]indol-3-ium-3-yl)propane-1-sulfonic acid Formula: C17H20NO3S+ MolecularWeight: 318.4106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=[N+](C2=C1C3=CC=CC=C3C=C2)CCCS(=O)(=O)O

Isomeric SMILES

CCC1C=[N+](C2=C1C3=CC=CC=C3C=C2)CCCS(=O)(=O)O

InChI

InChI=1S/C17H19NO3S/c1-2-13-12-18(10-5-11-22(19,20)21)16-9-8-14-6-3-4-7-15(14)17(13)16/h3-4,6-9,12-13H,2,5,10-11H2,1H3/p+1