1-(3-chlorophenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3O2/c1-14(15-4-2-7-18(12-15)22(23)24)20-8-10-21(11-9-20)17-6-3-5-16(19)13-17/h2-7,12-14H,8-11H2,1H3/p+1/t14-/m1/s1