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

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: benzyl-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2/c1-20-9-11-21(12-10-20)16-7-8-18(22(23)24)17(13-16)19-14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3/p+1