N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine

Systemtic Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine Openeye Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine CAS Name: N-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(3-nitrophenyl)ethanimine IUPAC Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine Traditional Name: (Z)-[4-(2-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=CC=C2Cl)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/N1CC[NH+](CC1)CC2=CC=CC=C2Cl)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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