butan-2-yl 2-(1-ethyl-2,3,4,5,6,7-hexahydroindol-1-ium-1-yl)propanoate

Systemtic Name: butan-2-yl 2-(1-ethyl-2,3,4,5,6,7-hexahydroindol-1-ium-1-yl)propanoate Openeye Name: sec-butyl 2-(1-ethyl-2,3,4,5,6,7-hexahydroindol-1-ium-1-yl)propanoate CAS Name: 2-(1-ethyl-2,3,4,5,6,7-hexahydroindol-1-ium-1-yl)propanoic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-(1-ethyl-2,3,4,5,6,7-hexahydroindol-1-ium-1-yl)propanoate Traditional Name: 2-(1-ethyl-2,3,4,5,6,7-hexahydroindol-1-ium-1-yl)propionic acid sec-butyl ester Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C(C)[N+]1(CCC2=C1CCCC2)CC

Isomeric SMILES

CCC(C)OC(=O)C(C)[N+]1(CCC2=C1CCCC2)CC

InChI

InChI=1S/C17H30NO2/c1-5-13(3)20-17(19)14(4)18(6-2)12-11-15-9-7-8-10-16(15)18/h13-14H,5-12H2,1-4H3/q+1