1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-5-phenyl-pentan-1-one

Systemtic Name: 1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-5-phenyl-pentan-1-one Openeye Name: 1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-piperidyl]-5-phenyl-pentan-1-one CAS Name: 1-[(3S)-3-[4-(hydroxymethyl)-1-piperidin-1-iumyl]-1-piperidinyl]-5-phenyl-1-pentanone IUPAC Name: 1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-5-phenylpentan-1-one Traditional Name: 1-[(3S)-3-(4-methylolpiperidin-1-ium-1-yl)piperidino]-5-phenyl-pentan-1-one Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCCC2=CC=CC=C2)[NH+]3CCC(CC3)CO

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCCCC2=CC=CC=C2)[NH+]3CCC(CC3)CO

InChI

InChI=1S/C22H34N2O2/c25-18-20-12-15-23(16-13-20)21-10-6-14-24(17-21)22(26)11-5-4-9-19-7-2-1-3-8-19/h1-3,7-8,20-21,25H,4-6,9-18H2/p+1/t21-/m0/s1