2-butyl-9-methyl-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid

Systemtic Name: 2-butyl-9-methyl-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Openeye Name: 2-butyl-9-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid CAS Name: 2-butyl-9-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid IUPAC Name: 2-butyl-9-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Traditional Name: 2-butyl-1-keto-9-methyl-3,4-dihydro-$b-carboline-6-sulfonic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)C

Isomeric SMILES

CCCCN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)C

InChI

InChI=1S/C16H20N2O4S/c1-3-4-8-18-9-7-12-13-10-11(23(20,21)22)5-6-14(13)17(2)15(12)16(18)19/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21,22)