2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-5-nitro-benzonitrile Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H20N4O2/c1-15-3-2-4-16(11-15)14-21-7-9-22(10-8-21)19-6-5-18(23(24)25)12-17(19)13-20/h2-6,11-12H,7-10,14H2,1H3/p+1