1-butyl-3-ethoxycarbonyl-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate

Systemtic Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate Openeye Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate CAS Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(1-piperidin-1-iumylmethyl)-5-indololate IUPAC Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate Traditional Name: 1-butyl-3-carbethoxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCCCC3)[O-])C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCCCC3)[O-])C(=O)OCC)C

InChI

InChI=1S/C22H32N2O3/c1-4-6-14-24-16(3)20(22(26)27-5-2)21-17(19(25)11-10-18(21)24)15-23-12-8-7-9-13-23/h10-11,25H,4-9,12-15H2,1-3H3