4-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methylamino]-3-nitro-benzonitrile CAS Name: 4-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methylamino]-3-nitrobenzonitrile Traditional Name: 4-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzyl]amino]-3-nitro-benzonitrile Formula: C19H18N5O2+ MolecularWeight: 348.37852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC2=CC(=CC=C2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=[N+](C=CN1)CC2=CC(=CC=C2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O2/c1-14-21-7-8-23(14)13-17-4-2-3-16(9-17)12-22-18-6-5-15(11-20)10-19(18)24(25)26/h2-10,22H,12-13H2,1H3/p+1