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

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-ethylazanium Traditional Name: benzyl-[2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl]-ethyl-ammonium Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3/c1-2-23(15-17-6-4-3-5-7-17)16-21(27)25-12-10-24(11-13-25)19-9-8-18(22)14-20(19)26(28)29/h3-9,14H,2,10-13,15-16H2,1H3/p+1