2-[4-[4-[(3S)-3-methoxypiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(3S)-3-methoxypiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-[(3S)-3-methoxypiperidin-1-ium-1-yl]-1-piperidyl]phenyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[4-[(3S)-3-methoxy-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-[(3S)-3-methoxypiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-[(3S)-3-methoxypiperidin-1-ium-1-yl]piperidino]phenyl]-1-pyrrolidino-ethanone Formula: C23H36N3O2+ MolecularWeight: 386.55084

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)CC(=O)N4CCCC4

Isomeric SMILES

CO[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H35N3O2/c1-28-22-5-4-14-26(18-22)21-10-15-24(16-11-21)20-8-6-19(7-9-20)17-23(27)25-12-2-3-13-25/h6-9,21-22H,2-5,10-18H2,1H3/p+1/t22-/m0/s1