2-(phenylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-sulfonic acid

Systemtic Name: 2-(phenylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-sulfonic acid Openeye Name: 2-benzyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-sulfonic acid CAS Name: 2-(phenylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-sulfonic acid IUPAC Name: 2-benzyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-sulfonic acid Traditional Name: 2-benzyl-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-sulfonic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1NC3=C2C=C(C=C3)S(=O)(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1NC3=C2C=C(C=C3)S(=O)(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C18H18N2O3S/c21-24(22,23)14-6-7-17-15(10-14)16-12-20(9-8-18(16)19-17)11-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2,(H,21,22,23)