4-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylpiperazin-2-one

Systemtic Name: 4-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylpiperazin-2-one Openeye Name: 4-[5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]piperazin-2-one CAS Name: 4-[[5-methyl-2-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one Traditional Name: 4-[5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]piperazin-2-one Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C23H28N4O3/c1-17-2-3-21(20(14-17)23(29)27-13-10-25-22(28)16-27)30-19-6-11-26(12-7-19)15-18-4-8-24-9-5-18/h2-5,8-9,14,19H,6-7,10-13,15-16H2,1H3,(H,25,28)/p+1