1-[1-(phenylmethyl)piperidin-1-ium-4-yl]azepane

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]azepane Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)azepane CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]azepane IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)azepane Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)azepane Formula: C18H29N2+ MolecularWeight: 273.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2/c1-2-7-13-20(12-6-1)18-10-14-19(15-11-18)16-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2/p+1