N-[[4-(diethylamino)phenyl]methyl]-3-methyl-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-amine

Systemtic Name: N-[[4-(diethylamino)phenyl]methyl]-3-methyl-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-amine Openeye Name: N-[[4-(diethylamino)phenyl]methyl]-3-methyl-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-amine CAS Name: N-[[4-(diethylamino)phenyl]methyl]-3-methyl-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-amine IUPAC Name: N-[[4-(diethylamino)phenyl]methyl]-3-methyl-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-amine Traditional Name: diethyl-[4-[[[3-methyl-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-yl]amino]methyl]phenyl]amine Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)CNC2=[N+](C(=CN2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)CNC2=[N+](C(=CN2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N5O2/c1-4-25(5-2)18-11-9-16(10-12-18)14-22-21-23-15-20(24(21)3)17-7-6-8-19(13-17)26(27)28/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)/p+1