methyl-[(2S)-3-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: methyl-[(2S)-3-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(4-nitrophenyl)-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[4-(4-nitrophenyl)piperazino]propyl]-methyl-ammonium Formula: C14H23N4O3+ MolecularWeight: 295.35742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H22N4O3/c1-15-10-14(19)11-16-6-8-17(9-7-16)12-2-4-13(5-3-12)18(20)21/h2-5,14-15,19H,6-11H2,1H3/p+1/t14-/m0/s1