1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(3-nitrobenzyl)piperazin-4-ium Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22BrN3O3/c1-26-19-6-5-17(20)12-16(19)14-22-9-7-21(8-10-22)13-15-3-2-4-18(11-15)23(24)25/h2-6,11-12H,7-10,13-14H2,1H3/p+1