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

Systemtic Name: (3S)-N-methyl-N-phenethyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-N-phenethyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-phenethyl-1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-N-phenethyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: methyl-phenethyl-[(3S)-1-[4-(2-pyrimidyloxy)benzyl]piperidin-1-ium-3-yl]amine Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C25H30N4O/c1-28(18-14-21-7-3-2-4-8-21)23-9-5-17-29(20-23)19-22-10-12-24(13-11-22)30-25-26-15-6-16-27-25/h2-4,6-8,10-13,15-16,23H,5,9,14,17-20H2,1H3/p+1/t23-/m0/s1