1-[4-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-3-nitro-phenyl]ethanone Formula: C22H29N4O4+ MolecularWeight: 413.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-17(27)18-4-9-21(22(16-18)26(28)29)23-10-3-11-24-12-14-25(15-13-24)19-5-7-20(30-2)8-6-19/h4-9,16,23H,3,10-15H2,1-2H3/p+1