[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: (3-methyl-4-nitro-phenyl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-15-13-17(5-8-19(15)23(25)26)20(24)22-11-9-21(10-12-22)14-16-3-6-18(27-2)7-4-16/h3-8,13H,9-12,14H2,1-2H3/p+1