(2-chloranyl-5-nitro-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-chloranyl-5-nitro-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-chloro-5-nitro-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-chloro-5-nitrophenyl)-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-chloro-5-nitrophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-chloro-5-nitro-phenyl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C19H21ClN3O4+ MolecularWeight: 390.84074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O4/c1-27-16-5-2-14(3-6-16)13-21-8-10-22(11-9-21)19(24)17-12-15(23(25)26)4-7-18(17)20/h2-7,12H,8-11,13H2,1H3/p+1