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

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (4-methoxy-3-nitro-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (4-methoxy-3-nitrophenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (4-methoxy-3-nitrophenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (4-methoxy-3-nitro-benzyl)-[(1S)-1-methylbutyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-4-5-10(2)14-9-11-6-7-13(18-3)12(8-11)15(16)17/h6-8,10,14H,4-5,9H2,1-3H3/p+1/t10-/m0/s1