(3S)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: (8-methoxy-2H-chromen-3-yl)methyl-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(=C2)CNC3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC2=C1OCC(=C2)CN[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C22H27N3O2/c1-26-21-9-4-6-18-12-17(16-27-22(18)21)13-24-20-8-5-11-25(15-20)14-19-7-2-3-10-23-19/h2-4,6-7,9-10,12,20,24H,5,8,11,13-16H2,1H3/p+1/t20-/m0/s1