cyclopropyl-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+](CC2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+](CC2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C22H26N2O3/c1-15(22(26)23-19-6-4-5-18(13-19)16(2)25)24(20-9-10-20)14-17-7-11-21(27-3)12-8-17/h4-8,11-13,15,20H,9-10,14H2,1-3H3,(H,23,26)/p+1/t15-/m1/s1