(3S)-1,3-dimethyl-4-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonyl-piperazin-2-one

Systemtic Name: (3S)-1,3-dimethyl-4-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonyl-piperazin-2-one Openeye Name: (3S)-1,3-dimethyl-4-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one CAS Name: (3S)-1,3-dimethyl-4-[oxo-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]-2-piperazinone IUPAC Name: (3S)-1,3-dimethyl-4-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one Traditional Name: (3S)-1,3-dimethyl-4-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4)C

Isomeric SMILES

C[C@H]1C(=O)N(CCN1C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4)C

InChI

InChI=1S/C24H30N4O3/c1-18-23(29)26(2)15-16-28(18)24(30)19-6-8-21(9-7-19)31-22-10-13-27(14-11-22)17-20-5-3-4-12-25-20/h3-9,12,18,22H,10-11,13-17H2,1-2H3/p+1/t18-/m0/s1