(1-methylpyrazol-4-yl)methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-propan-2-yl-azanium

Systemtic Name: (1-methylpyrazol-4-yl)methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-propan-2-yl-azanium Openeye Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-isopropyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[(1-methyl-4-pyrazolyl)methyl]-propan-2-ylammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-ylazanium Traditional Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-isopropyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1OCC(C[NH+]2CCCCC2)O)CC3=CN(N=C3)C

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1OC[C@@H](C[NH+]2CCCCC2)O)CC3=CN(N=C3)C

InChI

InChI=1S/C23H36N4O2/c1-19(2)27(15-20-13-24-25(3)14-20)16-21-9-5-6-10-23(21)29-18-22(28)17-26-11-7-4-8-12-26/h5-6,9-10,13-14,19,22,28H,4,7-8,11-12,15-18H2,1-3H3/p+2/t22-/m1/s1