butyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: butyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-butyl-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]ammonium CAS Name: butyl-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]azanium Traditional Name: benzyl-butyl-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]ammonium Formula: C28H32NO2+ MolecularWeight: 414.55918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)CC2=C(C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)OC

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=C(C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)OC

InChI

InChI=1S/C28H31NO2/c1-4-5-16-29(19-22-12-8-6-9-13-22)20-24-17-27-25(18-26(24)30-3)28(21(2)31-27)23-14-10-7-11-15-23/h6-15,17-18H,4-5,16,19-20H2,1-3H3/p+1