1-[(5-chloranyl-2-nitro-phenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(5-chloranyl-2-nitro-phenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(5-chloro-2-nitro-phenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(5-chloro-2-nitrophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(5-chloro-2-nitrophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(5-chloro-2-nitro-benzyl)-4-(2-methoxyphenyl)piperazin-1-ium Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O3/c1-25-18-5-3-2-4-17(18)21-10-8-20(9-11-21)13-14-12-15(19)6-7-16(14)22(23)24/h2-7,12H,8-11,13H2,1H3/p+1