[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2S)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]azanium

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2S)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]azanium Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-[(2S)-2-hydroxy-3-(2-naphthyloxy)propyl]-methyl-ammonium CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2S)-2-hydroxy-3-(2-naphthalenyloxy)propyl]-methylammonium IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium Traditional Name: [2-(2,6-dimethylanilino)-2-keto-ethyl]-[(2S)-2-hydroxy-3-(2-naphthoxy)propyl]-methyl-ammonium Formula: C24H29N2O3+ MolecularWeight: 393.49866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC(COC2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)C[C@@H](COC2=CC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C24H28N2O3/c1-17-7-6-8-18(2)24(17)25-23(28)15-26(3)14-21(27)16-29-22-12-11-19-9-4-5-10-20(19)13-22/h4-13,21,27H,14-16H2,1-3H3,(H,25,28)/p+1/t21-/m0/s1