methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C22H31N5O+2 MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C22H29N5O/c1-18-6-7-21(28-18)17-26-13-8-19(9-14-26)15-25(2)16-20-5-3-12-27(20)22-23-10-4-11-24-22/h3-7,10-12,19H,8-9,13-17H2,1-2H3/p+2