1-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazino]ethanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O/c1-16(22)20-11-13-21(14-12-20)18-7-9-19(10-8-18)15-17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3/p+1