3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-chloro-4-(4-methyl-1-piperazin-4-iumyl)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C17H21ClN3O2+ MolecularWeight: 334.82054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H20ClN3O2/c1-19-9-11-20(12-10-19)15-14(18)16(22)21(17(15)23)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/p+1