(4-methoxynaphthalen-1-yl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone

Systemtic Name: (4-methoxynaphthalen-1-yl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Openeye Name: (4-methoxy-1-naphthyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone CAS Name: (4-methoxy-1-naphthalenyl)-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methanone IUPAC Name: (4-methoxynaphthalen-1-yl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methanone Traditional Name: (4-methoxy-1-naphthyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Formula: C23H24N3O4+ MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C4=CC=CC=C43)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C4=CC=CC=C43)OC

InChI

InChI=1S/C23H23N3O4/c1-24-11-13-25(14-12-24)21-9-7-16(26(28)29)15-20(21)23(27)19-8-10-22(30-2)18-6-4-3-5-17(18)19/h3-10,15H,11-14H2,1-2H3/p+1