methyl-phenethyl-[[4-[[(3S)-1-pyridin-2-ylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl]azanium

Systemtic Name: methyl-phenethyl-[[4-[[(3S)-1-pyridin-2-ylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl]azanium Openeye Name: methyl-phenethyl-[[4-[[(3S)-1-(pyridine-2-carbonyl)-3-piperidyl]methoxy]phenyl]methyl]ammonium CAS Name: methyl-[[4-[[(3S)-1-[oxo(2-pyridinyl)methyl]-3-piperidinyl]methoxy]phenyl]methyl]-phenethylammonium IUPAC Name: methyl-phenethyl-[[4-[[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]azanium Traditional Name: methyl-phenethyl-[4-[[(3S)-1-picolinoyl-3-piperidyl]methoxy]benzyl]ammonium Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C=C2)OCC3CCCN(C3)C(=O)C4=CC=CC=N4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C=C2)OC[C@H]3CCCN(C3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C28H33N3O2/c1-30(19-16-23-8-3-2-4-9-23)20-24-12-14-26(15-13-24)33-22-25-10-7-18-31(21-25)28(32)27-11-5-6-17-29-27/h2-6,8-9,11-15,17,25H,7,10,16,18-22H2,1H3/p+1/t25-/m0/s1