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

Systemtic Name: tert-butyl 5-[(1-methylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-[(1-methylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[(1-methyl-1-pyrrolidin-1-iumyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(1-methylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-[(1-methylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N2O3/c1-20(2,3)25-19(23)21-11-10-17-16(14-21)8-7-9-18(17)24-15-22(4)12-5-6-13-22/h7-9H,5-6,10-15H2,1-4H3/q+1