[3-[[(3S)-1-cyclohexylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [3-[[(3S)-1-cyclohexylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [3-[[(3S)-1-(cyclohexanecarbonyl)-3-piperidyl]methoxy]phenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [3-[[(3S)-1-[cyclohexyl(oxo)methyl]-3-piperidinyl]methoxy]phenyl]methyl-methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [3-[[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [3-[[(3S)-1-(cyclohexanecarbonyl)-3-piperidyl]methoxy]benzyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C26H39N4O2+ MolecularWeight: 439.61346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+](C)CC2=CC(=CC=C2)OCC3CCCN(C3)C(=O)C4CCCCC4

Isomeric SMILES

CN1C=C(C=N1)C[NH+](C)CC2=CC(=CC=C2)OC[C@H]3CCCN(C3)C(=O)C4CCCCC4

InChI

InChI=1S/C26H38N4O2/c1-28(17-23-15-27-29(2)18-23)16-21-8-6-12-25(14-21)32-20-22-9-7-13-30(19-22)26(31)24-10-4-3-5-11-24/h6,8,12,14-15,18,22,24H,3-5,7,9-11,13,16-17,19-20H2,1-2H3/p+1/t22-/m0/s1