[4-chloranyl-2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-chloranyl-2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidin-1-yl-methanone Openeye Name: [4-chloro-2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-(1-piperidyl)methanone CAS Name: [4-chloro-2-[[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-chloro-2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-chloro-2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-piperidino-methanone Formula: C22H30ClN4O2+ MolecularWeight: 417.9522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)Cl)C(=O)N4CCCCC4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)Cl)C(=O)N4CCCCC4

InChI

InChI=1S/C22H29ClN4O2/c1-25-15-17(14-24-25)16-26-11-7-19(8-12-26)29-21-13-18(23)5-6-20(21)22(28)27-9-3-2-4-10-27/h5-6,13-15,19H,2-4,7-12,16H2,1H3/p+1