[2-(2-azanylethyl)-4-(2-methoxyphenyl)-1-(4-nitrophenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone

Systemtic Name: [2-(2-azanylethyl)-4-(2-methoxyphenyl)-1-(4-nitrophenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone Openeye Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(4-nitrophenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone CAS Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(4-nitrophenyl)-1-piperazin-1-iumyl]-cyclohexylmethanone IUPAC Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(4-nitrophenyl)piperazin-1-ium-1-yl]-cyclohexylmethanone Traditional Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(4-nitrophenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone Formula: C26H35N4O4+ MolecularWeight: 467.5805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4CCCCC4

InChI

InChI=1S/C26H35N4O4/c1-34-25-10-6-5-9-24(25)28-17-18-30(23(19-28)15-16-27,26(31)20-7-3-2-4-8-20)22-13-11-21(12-14-22)29(32)33/h5-6,9-14,20,23H,2-4,7-8,15-19,27H2,1H3/q+1