3-acridin-10-ium-10-ylpropane-1-sulfonic acid

Systemtic Name: 3-acridin-10-ium-10-ylpropane-1-sulfonic acid Openeye Name: 3-acridin-10-ium-10-ylpropane-1-sulfonic acid CAS Name: 3-(10-acridin-10-iumyl)-1-propanesulfonic acid IUPAC Name: 3-acridin-10-ium-10-ylpropane-1-sulfonic acid Traditional Name: 3-acridin-10-ium-10-ylpropane-1-sulfonic acid Formula: C16H16NO3S+ MolecularWeight: 302.36814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=[N+]2CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=[N+]2CCCS(=O)(=O)O

InChI

InChI=1S/C16H15NO3S/c18-21(19,20)11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,12H,5,10-11H2/p+1