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

Systemtic Name: (3S)-1,3-dimethyl-4-[3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonyl-piperazin-2-one Openeye Name: (3S)-1,3-dimethyl-4-[3-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one CAS Name: (3S)-1,3-dimethyl-4-[oxo-[3-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]-2-piperazinone IUPAC Name: (3S)-1,3-dimethyl-4-[3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one Traditional Name: (3S)-1,3-dimethyl-4-[3-[1-(4-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(=CC=C2)OC3CC[NH+](CC3)CC4=CC=NC=C4)C

Isomeric SMILES

C[C@H]1C(=O)N(CCN1C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC4=CC=NC=C4)C

InChI

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