3-[[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amino]propan-1-ol

Systemtic Name: 3-[[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amino]propan-1-ol Openeye Name: 3-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-anilino]propan-1-ol CAS Name: 3-[5-(4-methyl-1-piperazin-4-iumyl)-2-nitroanilino]-1-propanol IUPAC Name: 3-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitroanilino]propan-1-ol Traditional Name: 3-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-anilino]propan-1-ol Formula: C14H23N4O3+ MolecularWeight: 295.35742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCCO

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C14H22N4O3/c1-16-6-8-17(9-7-16)12-3-4-14(18(20)21)13(11-12)15-5-2-10-19/h3-4,11,15,19H,2,5-10H2,1H3/p+1