[2-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C25H37N4O2+ MolecularWeight: 425.58688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4)C

InChI

InChI=1S/C25H36N4O2/c1-4-29-20(3)23(19(2)26-29)18-27-16-12-21(13-17-27)31-24-11-7-6-10-22(24)25(30)28-14-8-5-9-15-28/h6-7,10-11,21H,4-5,8-9,12-18H2,1-3H3/p+1