3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propane-1-sulfonic acid Openeye Name: 3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propane-1-sulfonic acid CAS Name: 3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propane-1-sulfonic acid Traditional Name: 3-(1-methyl-9H-$b-carbolin-2-ium-2-yl)propane-1-sulfonic acid Formula: C15H17N2O3S+ MolecularWeight: 305.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCCS(=O)(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-11-15-13(12-5-2-3-6-14(12)16-15)7-9-17(11)8-4-10-21(18,19)20/h2-3,5-7,9H,4,8,10H2,1H3,(H,18,19,20)/p+1