tert-butyl 5-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 5-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-(1-benzylpyrrolidin-1-ium-1-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[[1-(phenylmethyl)-1-pyrrolidin-1-iumyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1-benzylpyrrolidin-1-ium-1-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-(1-benzylpyrrolidin-1-ium-1-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2O[N+]3(CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2O[N+]3(CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N2O3/c1-25(2,3)29-24(28)26-15-14-22-21(18-26)12-9-13-23(22)30-27(16-7-8-17-27)19-20-10-5-4-6-11-20/h4-6,9-13H,7-8,14-19H2,1-3H3/q+1