(3S)-N-ethyl-N-(pyridin-4-ylmethyl)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-ethyl-N-(pyridin-4-ylmethyl)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-ethyl-N-(4-pyridylmethyl)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-ethyl-N-(pyridin-4-ylmethyl)-1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-ethyl-N-(pyridin-4-ylmethyl)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: ethyl-(4-pyridylmethyl)-[(3S)-1-[4-(2-pyrimidyloxy)benzyl]piperidin-1-ium-3-yl]amine Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCC[NH+](C2)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C24H29N5O/c1-2-29(18-21-10-14-25-15-11-21)22-5-3-16-28(19-22)17-20-6-8-23(9-7-20)30-24-26-12-4-13-27-24/h4,6-15,22H,2-3,5,16-19H2,1H3/p+1/t22-/m0/s1