[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]-cyclopropyl-[(4-isopropylphenyl)methyl]ammonium CAS Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]-cyclopropyl-(4-isopropylbenzyl)ammonium Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C2CC2)C(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+](CC2=CC=C(C=C2)C(C)C)C3CC3

InChI

InChI=1S/C23H27N3O/c1-16(2)19-10-8-18(9-11-19)15-26(21-12-13-21)17(3)23(27)25-22-7-5-4-6-20(22)14-24/h4-11,16-17,21H,12-13,15H2,1-3H3,(H,25,27)/p+1/t17-/m1/s1