5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-N-[[(2R)-tetrahydrofuran-2-yl]methyl]aniline CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-nitro-N-[[(2R)-2-oxolanyl]methyl]aniline IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3CCCO3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC[C@H]3CCCO3

InChI

InChI=1S/C16H24N4O3/c1-18-6-8-19(9-7-18)13-4-5-16(20(21)22)15(11-13)17-12-14-3-2-10-23-14/h4-5,11,14,17H,2-3,6-10,12H2,1H3/p+1/t14-/m1/s1