tert-butyl (3S)-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)28-20(26)24-15-17-7-5-4-6-16(17)14-18(24)19(25)22-8-9-23-10-12-27-13-11-23/h4-7,18H,8-15H2,1-3H3,(H,22,25)/p+1/t18-/m0/s1