[4-chloranyl-2-[1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-chloranyl-2-[1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidin-1-yl-methanone Openeye Name: [4-chloro-2-[1-[(1R)-1-methyl-2-(3-pyridyl)ethyl]piperidin-1-ium-4-yl]oxy-phenyl]-(1-piperidyl)methanone CAS Name: [4-chloro-2-[[1-[(2R)-1-(3-pyridinyl)propan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-chloro-2-[1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-chloro-2-[1-[(1R)-1-methyl-2-(3-pyridyl)ethyl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidino-methanone Formula: C25H33ClN3O2+ MolecularWeight: 443.00142

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=CC=C1)[NH+]2CCC(CC2)OC3=C(C=CC(=C3)Cl)C(=O)N4CCCCC4

Isomeric SMILES

C[C@H](CC1=CN=CC=C1)[NH+]2CCC(CC2)OC3=C(C=CC(=C3)Cl)C(=O)N4CCCCC4

InChI

InChI=1S/C25H32ClN3O2/c1-19(16-20-6-5-11-27-18-20)28-14-9-22(10-15-28)31-24-17-21(26)7-8-23(24)25(30)29-12-3-2-4-13-29/h5-8,11,17-19,22H,2-4,9-10,12-16H2,1H3/p+1/t19-/m1/s1