[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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