[1-(3-methylbutanoyl)-4-oxidanyl-piperidin-4-yl]methyl-(phenylmethyl)azanium

Systemtic Name: [1-(3-methylbutanoyl)-4-oxidanyl-piperidin-4-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-hydroxy-1-(3-methylbutanoyl)-4-piperidyl]methyl]ammonium CAS Name: [4-hydroxy-1-(3-methyl-1-oxobutyl)-4-piperidinyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-hydroxy-1-(3-methylbutanoyl)piperidin-4-yl]methyl]azanium Traditional Name: benzyl-[(4-hydroxy-1-isovaleryl-4-piperidyl)methyl]ammonium Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)(C[NH2+]CC2=CC=CC=C2)O

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)(C[NH2+]CC2=CC=CC=C2)O

InChI

InChI=1S/C18H28N2O2/c1-15(2)12-17(21)20-10-8-18(22,9-11-20)14-19-13-16-6-4-3-5-7-16/h3-7,15,19,22H,8-14H2,1-2H3/p+1