methyl-phenethyl-[(2S)-1-[phenyl(propanoyl)amino]propan-2-yl]azanium

Systemtic Name: methyl-phenethyl-[(2S)-1-[phenyl(propanoyl)amino]propan-2-yl]azanium Openeye Name: methyl-[(1S)-1-methyl-2-(N-propanoylanilino)ethyl]-phenethyl-ammonium CAS Name: methyl-[(2S)-1-[N-(1-oxopropyl)anilino]propan-2-yl]-phenethylammonium IUPAC Name: methyl-phenethyl-[(2S)-1-(N-propanoylanilino)propan-2-yl]azanium Traditional Name: methyl-[(1S)-1-methyl-2-(N-propionylanilino)ethyl]-phenethyl-ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC(C)[NH+](C)CCC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)N(C[C@H](C)[NH+](C)CCC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O/c1-4-21(24)23(20-13-9-6-10-14-20)17-18(2)22(3)16-15-19-11-7-5-8-12-19/h5-14,18H,4,15-17H2,1-3H3/p+1/t18-/m0/s1