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

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-N-(2-phenoxyethyl)aniline Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-N-(2-phenoxyethyl)aniline CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-nitro-N-(2-phenoxyethyl)aniline IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-N-(2-phenoxyethyl)aniline Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-(2-phenoxyethyl)amine Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3/c1-21-10-12-22(13-11-21)16-7-8-19(23(24)25)18(15-16)20-9-14-26-17-5-3-2-4-6-17/h2-8,15,20H,9-14H2,1H3/p+1