[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-phenylpropyl)azanium

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-phenylpropyl)azanium Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]-(3-phenylpropyl)ammonium CAS Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(3-phenylpropyl)ammonium IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(3-phenylpropyl)azanium Traditional Name: [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]-(3-phenylpropyl)ammonium Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH2+]CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CCCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O2/c1-19-15-16-23(29-2)22(18-19)27-25(28)24(21-13-7-4-8-14-21)26-17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-16,18,24,26H,9,12,17H2,1-2H3,(H,27,28)/p+1/t24-/m0/s1