3-ethoxycarbonyl-1,2-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]indol-5-olate

Systemtic Name: 3-ethoxycarbonyl-1,2-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]indol-5-olate Openeye Name: 3-ethoxycarbonyl-1,2-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]indol-5-olate CAS Name: 3-ethoxycarbonyl-1,2-dimethyl-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-indololate IUPAC Name: 3-ethoxycarbonyl-1,2-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]indol-5-olate Traditional Name: 3-carbethoxy-1,2-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]indol-5-olate Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)[O-])C[NH+]3CCC(CC3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)[O-])C[NH+]3CCC(CC3)C)C)C

InChI

InChI=1S/C20H28N2O3/c1-5-25-20(24)18-14(3)21(4)16-6-7-17(23)15(19(16)18)12-22-10-8-13(2)9-11-22/h6-7,13,23H,5,8-12H2,1-4H3