[(2S)-butan-2-yl]-[(4-methoxy-3-nitro-phenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(4-methoxy-3-nitro-phenyl)methyl]azanium Openeye Name: (4-methoxy-3-nitro-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(4-methoxy-3-nitrophenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(4-methoxy-3-nitrophenyl)methyl]azanium Traditional Name: (4-methoxy-3-nitro-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C12H19N2O3+ MolecularWeight: 239.29086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O3/c1-4-9(2)13-8-10-5-6-12(17-3)11(7-10)14(15)16/h5-7,9,13H,4,8H2,1-3H3/p+1/t9-/m0/s1