tert-butyl 7-(1-azanylethyl)-1-(2-hydroxyethyl)indol-1-ium-1-carboxylate

Systemtic Name: tert-butyl 7-(1-azanylethyl)-1-(2-hydroxyethyl)indol-1-ium-1-carboxylate Openeye Name: tert-butyl 7-(1-aminoethyl)-1-(2-hydroxyethyl)indol-1-ium-1-carboxylate CAS Name: 7-(1-aminoethyl)-1-(2-hydroxyethyl)-1-indol-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(1-aminoethyl)-1-(2-hydroxyethyl)indol-1-ium-1-carboxylate Traditional Name: 7-(1-aminoethyl)-1-(2-hydroxyethyl)indol-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=C1[N+](C=C2)(CCO)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C1=CC=CC2=C1[N+](C=C2)(CCO)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C17H25N2O3/c1-12(18)14-7-5-6-13-8-9-19(10-11-20,15(13)14)16(21)22-17(2,3)4/h5-9,12,20H,10-11,18H2,1-4H3/q+1