(3-phenylmethoxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (3-phenylmethoxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (3-benzyloxyphenyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (3-phenylmethoxyphenyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (3-phenylmethoxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (3-benzoxybenzyl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-2-7-19(8-3-1)18-28-22-11-4-9-20(15-22)16-26-21-10-5-14-27(17-21)23-24-12-6-13-25-23/h1-4,6-9,11-13,15,21,26H,5,10,14,16-18H2/p+1/t21-/m0/s1