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

Systemtic Name: tert-butyl 5-(1-methylpyrrolidin-1-ium-1-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-(1-methylpyrrolidin-1-ium-1-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[(1-methyl-1-pyrrolidin-1-iumyl)oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1-methylpyrrolidin-1-ium-1-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-(1-methylpyrrolidin-1-ium-1-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N2O3/c1-19(2,3)23-18(22)20-11-10-16-15(14-20)8-7-9-17(16)24-21(4)12-5-6-13-21/h7-9H,5-6,10-14H2,1-4H3/q+1