(3S)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one

Systemtic Name: (3S)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one CAS Name: (3S)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]-2-piperidinone IUPAC Name: (3S)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-(4-isopropylbenzyl)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCCC(C2=O)(C[NH+]3CCCOCC3)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCC[C@@](C2=O)(C[NH+]3CCCOCC3)O

InChI

InChI=1S/C21H32N2O3/c1-17(2)19-7-5-18(6-8-19)15-23-11-3-9-21(25,20(23)24)16-22-10-4-13-26-14-12-22/h5-8,17,25H,3-4,9-16H2,1-2H3/p+1/t21-/m0/s1