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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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