4-chloranyl-5-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline

Systemtic Name: 4-chloranyl-5-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline Openeye Name: 4-chloro-5-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline CAS Name: 4-chloro-5-methoxy-N-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-2-nitroaniline IUPAC Name: 4-chloro-5-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitroaniline Traditional Name: (4-chloro-5-methoxy-2-nitro-phenyl)-[3-(3-methylimidazol-3-ium-1-yl)propyl]amine Formula: C14H18ClN4O3+ MolecularWeight: 325.77072

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCNC2=CC(=C(C=C2[N+](=O)[O-])Cl)OC

Isomeric SMILES

C[N+]1=CN(C=C1)CCCNC2=CC(=C(C=C2[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C14H18ClN4O3/c1-17-6-7-18(10-17)5-3-4-16-12-9-14(22-2)11(15)8-13(12)19(20)21/h6-10,16H,3-5H2,1-2H3/q+1