1-(3,4-dimethylphenyl)-4-(3-isocyanopropyl)piperazine

Systemtic Name: 1-(3,4-dimethylphenyl)-4-(3-isocyanopropyl)piperazine Openeye Name: 1-(3,4-dimethylphenyl)-4-(3-isocyanopropyl)piperazine CAS Name: 1-(3,4-dimethylphenyl)-4-(3-isocyanopropyl)piperazine IUPAC Name: 1-(3,4-dimethylphenyl)-4-(3-isocyanopropyl)piperazine Traditional Name: 1-(3,4-dimethylphenyl)-4-(3-isocyanopropyl)piperazine Formula: C16H23N3 MolecularWeight: 257.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CCC[N+]#[C-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CCC[N+]#[C-])C

InChI

InChI=1S/C16H23N3/c1-14-5-6-16(13-15(14)2)19-11-9-18(10-12-19)8-4-7-17-3/h5-6,13H,4,7-12H2,1-2H3