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

Systemtic Name: 1-[(5-chloranyl-2-nitro-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Openeye Name: 1-[(5-chloro-2-nitro-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium CAS Name: 1-[(5-chloro-2-nitrophenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(5-chloro-2-nitrophenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Traditional Name: 1-(5-chloro-2-nitro-benzyl)-4-o-phenetyl-piperazin-1-ium Formula: C19H23ClN3O3+ MolecularWeight: 376.85722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN3O3/c1-2-26-19-6-4-3-5-18(19)22-11-9-21(10-12-22)14-15-13-16(20)7-8-17(15)23(24)25/h3-8,13H,2,9-12,14H2,1H3/p+1