4-[[2-(3,4-dimethoxyphenyl)-4-(phenylmethyl)-4H-chromen-3-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[2-(3,4-dimethoxyphenyl)-4-(phenylmethyl)-4H-chromen-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-benzyl-2-(3,4-dimethoxyphenyl)-4H-chromen-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[2-(3,4-dimethoxyphenyl)-4-(phenylmethyl)-4H-1-benzopyran-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-benzyl-2-(3,4-dimethoxyphenyl)-4H-chromen-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-benzyl-2-(3,4-dimethoxyphenyl)-4H-chromen-3-yl]methyl]morpholin-4-ium Formula: C29H32NO4+ MolecularWeight: 458.56868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(C3=CC=CC=C3O2)CC4=CC=CC=C4)C[NH+]5CCOCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(C3=CC=CC=C3O2)CC4=CC=CC=C4)C[NH+]5CCOCC5)OC

InChI

InChI=1S/C29H31NO4/c1-31-27-13-12-22(19-28(27)32-2)29-25(20-30-14-16-33-17-15-30)24(18-21-8-4-3-5-9-21)23-10-6-7-11-26(23)34-29/h3-13,19,24H,14-18,20H2,1-2H3/p+1