(4-cyanophenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: (4-cyanophenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: (4-cyanophenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: (4-cyanophenyl)methyl-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: (4-cyanophenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: (4-cyanobenzyl)-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C16H26N4+2 MolecularWeight: 274.40444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC[NH2+]CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)CCC[NH2+]CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H24N4/c1-19-9-11-20(12-10-19)8-2-7-18-14-16-5-3-15(13-17)4-6-16/h3-6,18H,2,7-12,14H2,1H3/p+2