[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: [1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl-methyl-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C25H35N5O+2 MolecularWeight: 421.5783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C25H33N5O/c1-28(20-23-5-3-15-30(23)25-26-13-4-14-27-25)19-22-11-17-29(18-12-22)16-10-21-6-8-24(31-2)9-7-21/h3-9,13-15,22H,10-12,16-20H2,1-2H3/p+2