tert-butyl 5-[(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 5-[(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-[(1-benzyloxycarbonylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[(1-phenylmethoxycarbonyl-1-pyrrolidin-1-iumyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-[(1-carbobenzoxypyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H35N2O5+ MolecularWeight: 467.5772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2OC[N+]3(CCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2OC[N+]3(CCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H35N2O5/c1-27(2,3)34-25(30)28-15-14-23-22(18-28)12-9-13-24(23)33-20-29(16-7-8-17-29)26(31)32-19-21-10-5-4-6-11-21/h4-6,9-13H,7-8,14-20H2,1-3H3/q+1