[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [4-[[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-24-16-18(15-23-24)17-25-13-9-21(10-14-25)28-20-7-5-19(6-8-20)22(27)26-11-3-2-4-12-26/h5-8,15-16,21H,2-4,9-14,17H2,1H3/p+1