6-[4-[(dimethylazaniumyl)methyl]phenyl]-1-methyl-indole-2-carboxylate

Systemtic Name: 6-[4-[(dimethylazaniumyl)methyl]phenyl]-1-methyl-indole-2-carboxylate Openeye Name: 6-[4-[(dimethylammonio)methyl]phenyl]-1-methyl-indole-2-carboxylate CAS Name: 6-[4-[(dimethylammonio)methyl]phenyl]-1-methyl-2-indolecarboxylate IUPAC Name: 6-[4-[(dimethylazaniumyl)methyl]phenyl]-1-methylindole-2-carboxylate Traditional Name: 6-[4-[(dimethylammonio)methyl]phenyl]-1-methyl-indole-2-carboxylate Formula: C19H20N2O2 MolecularWeight: 308.3743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2)C3=CC=C(C=C3)C[NH+](C)C)C(=O)[O-]

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2)C3=CC=C(C=C3)C[NH+](C)C)C(=O)[O-]

InChI

InChI=1S/C19H20N2O2/c1-20(2)12-13-4-6-14(7-5-13)15-8-9-16-11-18(19(22)23)21(3)17(16)10-15/h4-11H,12H2,1-3H3,(H,22,23)