sodium 3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonate

Systemtic Name: sodium 3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonate Openeye Name: sodium 3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonate CAS Name: sodium 3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-propanesulfonate IUPAC Name: sodium 3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonate Traditional Name: sodium 3-(1,3,4,9-tetrahydro-$b-carbolin-2-yl)propane-1-sulfonate Formula: C14H17N2NaO3S MolecularWeight: 316.35115

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C3=CC=CC=C3N2)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CC2=C1C3=CC=CC=C3N2)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H18N2O3S.Na/c17-20(18,19)9-3-7-16-8-6-12-11-4-1-2-5-13(11)15-14(12)10-16;/h1-2,4-5,15H,3,6-10H2,(H,17,18,19);/q;+1/p-1