1-methyl-4-(pyridin-4-ylmethylamino)piperidin-1-ium-4-carbonitrile

Systemtic Name: 1-methyl-4-(pyridin-4-ylmethylamino)piperidin-1-ium-4-carbonitrile Openeye Name: 1-methyl-4-(4-pyridylmethylamino)piperidin-1-ium-4-carbonitrile CAS Name: 1-methyl-4-(pyridin-4-ylmethylamino)-4-piperidin-1-iumcarbonitrile IUPAC Name: 1-methyl-4-(pyridin-4-ylmethylamino)piperidin-1-ium-4-carbonitrile Traditional Name: 1-methyl-4-(4-pyridylmethylamino)piperidin-1-ium-4-carbonitrile Formula: C13H19N4+ MolecularWeight: 231.31676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C#N)NCC2=CC=NC=C2

Isomeric SMILES

C[NH+]1CCC(CC1)(C#N)NCC2=CC=NC=C2

InChI

InChI=1S/C13H18N4/c1-17-8-4-13(11-14,5-9-17)16-10-12-2-6-15-7-3-12/h2-3,6-7,16H,4-5,8-10H2,1H3/p+1