4-methyl-2-nitro-5-(4-phenylpiperazin-1-ium-1-yl)aniline

Systemtic Name: 4-methyl-2-nitro-5-(4-phenylpiperazin-1-ium-1-yl)aniline Openeye Name: 4-methyl-2-nitro-5-(4-phenylpiperazin-1-ium-1-yl)aniline CAS Name: 4-methyl-2-nitro-5-(4-phenyl-1-piperazin-1-iumyl)aniline IUPAC Name: 4-methyl-2-nitro-5-(4-phenylpiperazin-1-ium-1-yl)aniline Traditional Name: [4-methyl-2-nitro-5-(4-phenylpiperazin-1-ium-1-yl)phenyl]amine Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1[NH+]2CCN(CC2)C3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1[NH+]2CCN(CC2)C3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2/c1-13-11-17(21(22)23)15(18)12-16(13)20-9-7-19(8-10-20)14-5-3-2-4-6-14/h2-6,11-12H,7-10,18H2,1H3/p+1