methyl-[(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]-[(2S)-4-phenylbutan-2-yl]azanium

Systemtic Name: methyl-[(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]-[(2S)-4-phenylbutan-2-yl]azanium Openeye Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-methyl-[(1S)-1-methyl-3-phenyl-propyl]ammonium CAS Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-methyl-[(2S)-4-phenylbutan-2-yl]ammonium IUPAC Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-methyl-[(2S)-4-phenylbutan-2-yl]azanium Traditional Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-methyl-[(1S)-1-methyl-3-phenyl-propyl]ammonium Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3/c1-15(11-12-16-7-4-3-5-8-16)20(2)14-19(22)17-9-6-10-18(13-17)21(23)24/h3-10,13,15,19,22H,11-12,14H2,1-2H3/p+1/t15-,19+/m0/s1