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

Systemtic Name: 1-phenyl-4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-phenyl-4-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium CAS Name: 1-phenyl-4-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-phenyl-4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-phenyl-4-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Formula: C21H30N4+2 MolecularWeight: 338.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C21H28N4/c1-2-6-20(7-3-1)24-13-15-25(16-14-24)21-8-11-23(12-9-21)18-19-5-4-10-22-17-19/h1-7,10,17,21H,8-9,11-16,18H2/p+2