[4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C17H24N4+2 MolecularWeight: 284.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C17H22N4/c18-12-15-3-5-17(6-4-15)21-10-8-20(9-11-21)14-16-2-1-7-19-13-16/h1-7,13H,8-12,14,18H2/p+2