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

Systemtic Name: 1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepan-1-ium Openeye Name: 1-[1-(3-pyridylmethyl)-4-piperidyl]azepan-1-ium CAS Name: 1-[1-(3-pyridinylmethyl)-4-piperidinyl]azepan-1-ium IUPAC Name: 1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-(3-pyridylmethyl)-4-piperidyl]azepan-1-ium Formula: C17H28N3+ MolecularWeight: 274.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C17H27N3/c1-2-4-11-20(10-3-1)17-7-12-19(13-8-17)15-16-6-5-9-18-14-16/h5-6,9,14,17H,1-4,7-8,10-13,15H2/p+1