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

Systemtic Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)indol-5-olate Openeye Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)indol-5-olate CAS Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(1-pyrrolidin-1-iumylmethyl)-5-indololate IUPAC Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)indol-5-olate Traditional Name: 1-butyl-3-carbethoxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)indol-5-olate Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCCC3)[O-])C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCCC3)[O-])C(=O)OCC)C

InChI

InChI=1S/C21H30N2O3/c1-4-6-13-23-15(3)19(21(25)26-5-2)20-16(14-22-11-7-8-12-22)18(24)10-9-17(20)23/h9-10,24H,4-8,11-14H2,1-3H3