4-[5-chloranyl-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylpiperazin-2-one

Systemtic Name: 4-[5-chloranyl-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylpiperazin-2-one Openeye Name: 4-[5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-benzoyl]piperazin-2-one CAS Name: 4-[[5-chloro-2-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxybenzoyl]piperazin-2-one Traditional Name: 4-[5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-benzoyl]piperazin-2-one Formula: C21H29ClN3O3+ MolecularWeight: 406.92626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)Cl)C(=O)N4CCNC(=O)C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)Cl)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C21H28ClN3O3/c22-15-5-6-19(18(13-15)21(27)25-12-9-23-20(26)14-25)28-17-7-10-24(11-8-17)16-3-1-2-4-16/h5-6,13,16-17H,1-4,7-12,14H2,(H,23,26)/p+1