1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(2-chloro-5-nitro-benzyl)-4-(3-methoxyphenyl)piperazin-1-ium Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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