1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium Traditional Name: 1-(4-chloro-3-nitro-benzyl)-4-(3-chlorophenyl)piperazin-1-ium Formula: C17H18Cl2N3O2+ MolecularWeight: 367.24972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H17Cl2N3O2/c18-14-2-1-3-15(11-14)21-8-6-20(7-9-21)12-13-4-5-16(19)17(10-13)22(23)24/h1-5,10-11H,6-9,12H2/p+1