N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine Openeye Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine CAS Name: N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(3-nitrophenyl)ethanimine IUPAC Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine Traditional Name: (Z)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-[1-(3-nitrophenyl)ethylidene]amine Formula: C19H22ClN4O2+ MolecularWeight: 373.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1CC[NH+](CC1)CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/N1CC[NH+](CC1)CC2=CC=C(C=C2)Cl)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O2/c1-15(17-3-2-4-19(13-17)24(25)26)21-23-11-9-22(10-12-23)14-16-5-7-18(20)8-6-16/h2-8,13H,9-12,14H2,1H3/p+1/b21-15-