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

Systemtic Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-[4-(2-pyrimidyloxy)benzyl]amine Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NCC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NCC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C23H25ClN4O/c24-20-8-4-19(5-9-20)16-28-14-1-3-21(17-28)27-15-18-6-10-22(11-7-18)29-23-25-12-2-13-26-23/h2,4-13,21,27H,1,3,14-17H2/p+1/t21-/m0/s1