(2-methoxy-5-methyl-phenyl)methyl-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (2-methoxy-5-methyl-phenyl)methyl-[(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-methoxy-5-methylphenyl)methyl-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: (2-methoxy-5-methylphenyl)methyl-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+](C)C(C)C(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+](C)[C@@H](C)C(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O3/c1-15-6-11-20(26-5)18(12-15)14-23(3)16(2)21(24)22-13-17-7-9-19(25-4)10-8-17/h6-12,16H,13-14H2,1-5H3,(H,22,24)/p+1/t16-/m0/s1