[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O3S/c1-20(12-15-3-2-10-27-15)13-18(24)22-8-6-21(7-9-22)16-5-4-14(19)11-17(16)23(25)26/h2-5,10-11H,6-9,12-13H2,1H3/p+1