3-ethoxycarbonyl-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate

Systemtic Name: 3-ethoxycarbonyl-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate Openeye Name: 3-ethoxycarbonyl-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate CAS Name: 3-ethoxycarbonyl-1,2-dimethyl-4-(1-piperidin-1-iumylmethyl)-5-indololate IUPAC Name: 3-ethoxycarbonyl-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate Traditional Name: 3-carbethoxy-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate Formula: C19H26N2O3 MolecularWeight: 330.42134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)[O-])C[NH+]3CCCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)[O-])C[NH+]3CCCCC3)C)C

InChI

InChI=1S/C19H26N2O3/c1-4-24-19(23)17-13(2)20(3)15-8-9-16(22)14(18(15)17)12-21-10-6-5-7-11-21/h8-9,22H,4-7,10-12H2,1-3H3