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

Systemtic Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(morpholin-4-ium-4-ylmethyl)indol-5-olate Openeye Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(morpholin-4-ium-4-ylmethyl)indol-5-olate CAS Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(4-morpholin-4-iumylmethyl)-5-indololate IUPAC Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-(morpholin-4-ium-4-ylmethyl)indol-5-olate Traditional Name: 1-butyl-3-carbethoxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)indol-5-olate Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCOCC3)[O-])C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCOCC3)[O-])C(=O)OCC)C

InChI

InChI=1S/C21H30N2O4/c1-4-6-9-23-15(3)19(21(25)27-5-2)20-16(18(24)8-7-17(20)23)14-22-10-12-26-13-11-22/h7-8,24H,4-6,9-14H2,1-3H3