1-[4-[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(3-isopropoxybenzoyl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-(3-isopropoxybenzoyl)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H32N2O3/c1-16(2)27-21-8-4-6-18(14-21)22(26)19-7-5-11-24(15-19)20-9-12-23(13-10-20)17(3)25/h4,6,8,14,16,19-20H,5,7,9-13,15H2,1-3H3/p+1/t19-/m0/s1