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

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-[4-(methylamino)-3-nitrophenyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[4-(methylamino)-3-nitrophenyl]methanone Traditional Name: [4-(methylamino)-3-nitro-phenyl]-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-21-18-8-5-16(13-19(18)24(26)27)20(25)23-11-9-22(10-12-23)14-15-3-6-17(28-2)7-4-15/h3-8,13,21H,9-12,14H2,1-2H3/p+1