1-[(4-chlorophenyl)methyl]-4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-(2-nitrobenzyl)-1,4-diazepan-1-ium Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3O2/c20-18-8-6-16(7-9-18)14-21-10-3-11-22(13-12-21)15-17-4-1-2-5-19(17)23(24)25/h1-2,4-9H,3,10-15H2/p+1