2-(4-methoxy-2-nitro-phenoxy)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-methoxy-2-nitro-phenoxy)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone CAS Name: 2-(4-methoxy-2-nitrophenoxy)-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-methoxy-2-nitrophenoxy)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O5/c1-17(2)19-6-4-18(5-7-19)15-24-10-12-25(13-11-24)23(27)16-31-22-9-8-20(30-3)14-21(22)26(28)29/h4-9,14,17H,10-13,15-16H2,1-3H3/p+1