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

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-[4-(2-pyrimidyloxy)benzyl]amine Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NCC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NCC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C24H28N4O2/c1-29-23-7-2-5-20(15-23)17-28-14-3-6-21(18-28)27-16-19-8-10-22(11-9-19)30-24-25-12-4-13-26-24/h2,4-5,7-13,15,21,27H,3,6,14,16-18H2,1H3/p+1/t21-/m0/s1