ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-[(4-pyrimidin-2-yloxyphenyl)methyl]azanium

Systemtic Name: ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-[(4-pyrimidin-2-yloxyphenyl)methyl]azanium Openeye Name: ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]-[(4-pyrimidin-2-yloxyphenyl)methyl]ammonium CAS Name: ethyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]methyl]-[[4-(2-pyrimidinyloxy)phenyl]methyl]ammonium IUPAC Name: ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-[(4-pyrimidin-2-yloxyphenyl)methyl]azanium Traditional Name: ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]-[4-(2-pyrimidyloxy)benzyl]ammonium Formula: C25H39N5O+2 MolecularWeight: 425.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CCN(CC1)C2CC[NH+](CC2)C)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

CC[NH+](CC1CCN(CC1)C2CC[NH+](CC2)C)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C25H37N5O/c1-3-29(19-21-5-7-24(8-6-21)31-25-26-13-4-14-27-25)20-22-9-17-30(18-10-22)23-11-15-28(2)16-12-23/h4-8,13-14,22-23H,3,9-12,15-20H2,1-2H3/p+2