(4-tert-butylphenyl)methyl-[2-[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[2-[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[2-[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[2-[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[2-[(2S)-2-carbomethoxy-2,3-dihydro-1,4-benzoxazin-4-yl]-2-keto-ethyl]-methyl-ammonium Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CC(OC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C24H30N2O4/c1-24(2,3)18-12-10-17(11-13-18)14-25(4)16-22(27)26-15-21(23(28)29-5)30-20-9-7-6-8-19(20)26/h6-13,21H,14-16H2,1-5H3/p+1/t21-/m0/s1