3-[1-(oxan-4-yl)piperidin-1-ium-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-[1-(oxan-4-yl)piperidin-1-ium-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-(1-tetrahydropyran-4-ylpiperidin-1-ium-4-yl)propan-1-one CAS Name: 3-[1-(4-oxanyl)-4-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[1-(oxan-4-yl)piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-(1-tetrahydropyran-4-ylpiperidin-1-ium-4-yl)propan-1-one Formula: C25H39N2O2+ MolecularWeight: 399.58936

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4CCOCC4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4CCOCC4

InChI

InChI=1S/C25H38N2O2/c28-25(27-16-10-23(11-17-27)20-22-4-2-1-3-5-22)7-6-21-8-14-26(15-9-21)24-12-18-29-19-13-24/h1-5,21,23-24H,6-20H2/p+1