1-[1-methyl-3-(4-nitrophenyl)-4-oxidanylidene-piperazin-4-ium-2-yl]-4-piperidin-1-yl-butan-1-one

Systemtic Name: 1-[1-methyl-3-(4-nitrophenyl)-4-oxidanylidene-piperazin-4-ium-2-yl]-4-piperidin-1-yl-butan-1-one Openeye Name: 1-[1-methyl-3-(4-nitrophenyl)-4-oxo-piperazin-4-ium-2-yl]-4-(1-piperidyl)butan-1-one CAS Name: 1-[1-methyl-3-(4-nitrophenyl)-4-oxo-2-piperazin-4-iumyl]-4-(1-piperidinyl)-1-butanone IUPAC Name: 1-[1-methyl-3-(4-nitrophenyl)-4-oxopiperazin-4-ium-2-yl]-4-piperidin-1-ylbutan-1-one Traditional Name: 1-[4-keto-1-methyl-3-(4-nitrophenyl)piperazin-4-ium-2-yl]-4-piperidino-butan-1-one Formula: C20H29N4O4+ MolecularWeight: 389.46866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](=O)C(C1C(=O)CCCN2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CC[N+](=O)C(C1C(=O)CCCN2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N4O4/c1-21-14-15-23(26)19(16-7-9-17(10-8-16)24(27)28)20(21)18(25)6-5-13-22-11-3-2-4-12-22/h7-10,19-20H,2-6,11-15H2,1H3/q+1