tert-butyl-[(2S)-1-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: tert-butyl-[(2S)-1-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: tert-butyl-[(1S)-2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: tert-butyl-[(2S)-1-[4-[(2-methoxyanilino)-oxomethyl]anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: tert-butyl-[(2S)-1-[4-[(2-methoxyphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]azanium Traditional Name: tert-butyl-[(1S)-2-keto-2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-1-methyl-ethyl]ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)[NH2+]C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)[NH2+]C(C)(C)C

InChI

InChI=1S/C21H27N3O3/c1-14(24-21(2,3)4)19(25)22-16-12-10-15(11-13-16)20(26)23-17-8-6-7-9-18(17)27-5/h6-14,24H,1-5H3,(H,22,25)(H,23,26)/p+1/t14-/m0/s1