[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-(3-oxidanylpropyl)azanium Openeye Name: 3-hydroxypropyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: 3-hydroxypropyl-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: 3-hydroxypropyl-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: 3-hydroxypropyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C12H19N2O3+ MolecularWeight: 239.29086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CCCO)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3/c1-9-4-5-11(8-12(9)14(16)17)10(2)13-6-3-7-15/h4-5,8,10,13,15H,3,6-7H2,1-2H3/p+1/t10-/m0/s1