methyl-(2-pyridin-2-ylethyl)-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium Openeye Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3-piperidyl]ammonium CAS Name: methyl-[2-(2-pyridinyl)ethyl]-[(3S)-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidinyl]ammonium IUPAC Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3-piperidyl]ammonium Formula: C22H29N6+ MolecularWeight: 377.50586

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C22H28N6/c1-26(16-10-19-7-2-3-11-23-19)20-8-4-14-27(17-20)18-21-9-5-15-28(21)22-24-12-6-13-25-22/h2-3,5-7,9,11-13,15,20H,4,8,10,14,16-18H2,1H3/p+1/t20-/m0/s1