1-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-[(1S)-1-(2-chlorophenyl)ethyl]-4-(2-nitrobenzyl)piperazin-4-ium Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)N2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Cl)N2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN3O2/c1-15(17-7-3-4-8-18(17)20)22-12-10-21(11-13-22)14-16-6-2-5-9-19(16)23(24)25/h2-9,15H,10-14H2,1H3/p+1/t15-/m0/s1