1-(4-isocyanatophenyl)-4-methyl-piperazin-4-ium

Systemtic Name: 1-(4-isocyanatophenyl)-4-methyl-piperazin-4-ium Openeye Name: 1-(4-isocyanatophenyl)-4-methyl-piperazin-4-ium CAS Name: 1-(4-isocyanatophenyl)-4-methylpiperazin-4-ium IUPAC Name: 1-(4-isocyanatophenyl)-4-methylpiperazin-4-ium Traditional Name: 1-(4-isocyanatophenyl)-4-methyl-piperazin-4-ium Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)N=C=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)N=C=O

InChI

InChI=1S/C12H15N3O/c1-14-6-8-15(9-7-14)12-4-2-11(3-5-12)13-10-16/h2-5H,6-9H2,1H3/p+1