N-(furan-2-ylmethyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline

Systemtic Name: N-(furan-2-ylmethyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: N-(2-furylmethyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: N-(2-furanylmethyl)-5-(4-methyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: N-(furan-2-ylmethyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: 2-furfuryl-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C16H20N4O3/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/h2-5,10-11,17H,6-9,12H2,1H3/p+1