(8-methoxy-2H-chromen-3-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium

Systemtic Name: (8-methoxy-2H-chromen-3-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Openeye Name: (8-methoxy-2H-chromen-3-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium CAS Name: (8-methoxy-2H-1-benzopyran-3-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methyl-4-piperidin-1-iumyl)methyl]ammonium IUPAC Name: (8-methoxy-2H-chromen-3-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Traditional Name: (8-methoxy-2H-chromen-3-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C27H38N2O3+2 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC4=C(C(=CC=C4)OC)OC3

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC4=C(C(=CC=C4)OC)OC3

InChI

InChI=1S/C27H36N2O3/c1-28-14-11-22(12-15-28)18-29(16-13-21-7-9-25(30-2)10-8-21)19-23-17-24-5-4-6-26(31-3)27(24)32-20-23/h4-10,17,22H,11-16,18-20H2,1-3H3/p+2