tert-butyl N-[4-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]carbamoyl]phenyl]carbamate CAS Name: N-[4-[[[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]amino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4/c1-24(2,3)31-23(29)25-20-11-9-19(10-12-20)22(28)26-21(18-7-5-4-6-8-18)17-27-13-15-30-16-14-27/h4-12,21H,13-17H2,1-3H3,(H,25,29)(H,26,28)/p+1/t21-/m1/s1