ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium Openeye Name: ethyl-(4-pyridylmethyl)-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3-piperidyl]ammonium CAS Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidinyl]ammonium IUPAC Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium Traditional Name: ethyl-(4-pyridylmethyl)-[(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:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C22H28N6/c1-2-27(16-19-8-12-23-13-9-19)20-6-3-14-26(17-20)18-21-7-4-15-28(21)22-24-10-5-11-25-22/h4-5,7-13,15,20H,2-3,6,14,16-18H2,1H3/p+1/t20-/m0/s1