[4-chloranyl-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-chloranyl-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidin-1-yl-methanone Openeye Name: [4-chloro-2-[1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-yl]oxy-phenyl]-(1-piperidyl)methanone CAS Name: [4-chloro-2-[[1-[(2R)-4-(1-pyrazolyl)butan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-chloro-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-chloro-2-[1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidino-methanone Formula: C24H34ClN4O2+ MolecularWeight: 446.00536

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)[NH+]2CCC(CC2)OC3=C(C=CC(=C3)Cl)C(=O)N4CCCCC4

Isomeric SMILES

C[C@H](CCN1C=CC=N1)[NH+]2CCC(CC2)OC3=C(C=CC(=C3)Cl)C(=O)N4CCCCC4

InChI

InChI=1S/C24H33ClN4O2/c1-19(8-17-29-14-5-11-26-29)27-15-9-21(10-16-27)31-23-18-20(25)6-7-22(23)24(30)28-12-3-2-4-13-28/h5-7,11,14,18-19,21H,2-4,8-10,12-13,15-17H2,1H3/p+1/t19-/m1/s1