3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonic acid Openeye Name: 3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonic acid CAS Name: 3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(6-methoxy-1,3,4,9-tetrahydro-$b-carbolin-2-yl)propane-1-sulfonic acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2CCN(C3)CCCS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2CCN(C3)CCCS(=O)(=O)O

InChI

InChI=1S/C15H20N2O4S/c1-21-11-3-4-14-13(9-11)12-5-7-17(10-15(12)16-14)6-2-8-22(18,19)20/h3-4,9,16H,2,5-8,10H2,1H3,(H,18,19,20)