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

Systemtic Name: (3S)-N-methyl-N-(phenylmethyl)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-benzyl-N-methyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-(phenylmethyl)-1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-benzyl-N-methyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: benzyl-methyl-[(3S)-1-[4-(2-pyrimidyloxy)benzyl]piperidin-1-ium-3-yl]amine Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O/c1-27(17-20-7-3-2-4-8-20)22-9-5-16-28(19-22)18-21-10-12-23(13-11-21)29-24-25-14-6-15-26-24/h2-4,6-8,10-15,22H,5,9,16-19H2,1H3/p+1/t22-/m0/s1