1-(2-chloranyl-4-nitro-phenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-(2-chloro-4-nitro-phenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-(2-chloro-4-nitrophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(2-chloro-4-nitrophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(2-chloro-4-nitro-phenyl)-4-p-anisyl-1,4-diazepan-4-ium Formula: C19H23ClN3O3+ MolecularWeight: 376.85722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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