sodium 9-(phenylmethyl)-1-propyl-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: sodium 9-(phenylmethyl)-1-propyl-pyrido[3,4-b]indole-3-carboxylate Openeye Name: sodium 9-benzyl-1-propyl-pyrido[3,4-b]indole-3-carboxylate CAS Name: sodium 9-(phenylmethyl)-1-propyl-3-pyrido[3,4-b]indolecarboxylate IUPAC Name: sodium 9-benzyl-1-propylpyrido[3,4-b]indole-3-carboxylate Traditional Name: sodium 9-benzyl-1-propyl-$b-carboline-3-carboxylate Formula: C22H19N2NaO2 MolecularWeight: 366.38823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=N1)C(=O)[O-])C3=CC=CC=C3N2CC4=CC=CC=C4.[Na+]

Isomeric SMILES

CCCC1=C2C(=CC(=N1)C(=O)[O-])C3=CC=CC=C3N2CC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C22H20N2O2.Na/c1-2-8-18-21-17(13-19(23-18)22(25)26)16-11-6-7-12-20(16)24(21)14-15-9-4-3-5-10-15;/h3-7,9-13H,2,8,14H2,1H3,(H,25,26);/q;+1/p-1