[4-[(3-methoxyphenyl)methyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [4-[(3-methoxyphenyl)methyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [4-[(3-methoxyphenyl)methyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [4-[(3-methoxyphenyl)methyl]-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [4-[(3-methoxyphenyl)methyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-m-anisyl-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]methanol Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CC[NH+](CC2)CC3=CC=CN3C4=NC=CC=N4)CO

Isomeric SMILES

COC1=CC=CC(=C1)CC2(CC[NH+](CC2)CC3=CC=CN3C4=NC=CC=N4)CO

InChI

InChI=1S/C23H28N4O2/c1-29-21-7-2-5-19(15-21)16-23(18-28)8-13-26(14-9-23)17-20-6-3-12-27(20)22-24-10-4-11-25-22/h2-7,10-12,15,28H,8-9,13-14,16-18H2,1H3/p+1