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

Systemtic Name: sodium 9-(3-phenylpropyl)-1-propyl-pyrido[3,4-b]indole-3-carboxylate Openeye Name: sodium 9-(3-phenylpropyl)-1-propyl-pyrido[3,4-b]indole-3-carboxylate CAS Name: sodium 9-(3-phenylpropyl)-1-propyl-3-pyrido[3,4-b]indolecarboxylate IUPAC Name: sodium 9-(3-phenylpropyl)-1-propylpyrido[3,4-b]indole-3-carboxylate Traditional Name: sodium 9-(3-phenylpropyl)-1-propyl-$b-carboline-3-carboxylate Formula: C24H23N2NaO2 MolecularWeight: 394.44139

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=N1)C(=O)[O-])C3=CC=CC=C3N2CCCC4=CC=CC=C4.[Na+]

Isomeric SMILES

CCCC1=C2C(=CC(=N1)C(=O)[O-])C3=CC=CC=C3N2CCCC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C24H24N2O2.Na/c1-2-9-20-23-19(16-21(25-20)24(27)28)18-13-6-7-14-22(18)26(23)15-8-12-17-10-4-3-5-11-17;/h3-7,10-11,13-14,16H,2,8-9,12,15H2,1H3,(H,27,28);/q;+1/p-1