(3S)-N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-[(6-methoxy-2H-1-benzopyran-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-[(6-methoxy-2H-chromen-3-yl)methyl]amine Formula: C24H31N2O3+ MolecularWeight: 395.51454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=C2)CNC3CCC[NH+](C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=C2)CN[C@H]3CCC[NH+](C3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H30N2O3/c1-27-22-7-3-5-18(12-22)15-26-10-4-6-21(16-26)25-14-19-11-20-13-23(28-2)8-9-24(20)29-17-19/h3,5,7-9,11-13,21,25H,4,6,10,14-17H2,1-2H3/p+1/t21-/m0/s1