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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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