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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)[O-])C3=CC=CC=C3N2CCCC4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)[O-])C3=CC=CC=C3N2CCCC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C22H20N2O2.Na/c1-15-21-18(14-19(23-15)22(25)26)17-11-5-6-12-20(17)24(21)13-7-10-16-8-3-2-4-9-16;/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,25,26);/q;+1/p-1