1-[[4-(furan-2-yl)phenyl]methyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[4-(furan-2-yl)phenyl]methyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[4-(2-furyl)phenyl]methyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[[4-(2-furanyl)phenyl]methyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[4-(furan-2-yl)phenyl]methyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[4-(2-furyl)benzyl]-4-m-anisyl-1,4-diazepan-1-ium-5-one Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CCC2=O)CC3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](CCC2=O)CC3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C24H26N2O3/c1-28-22-5-2-4-20(16-22)18-26-14-13-25(12-11-24(26)27)17-19-7-9-21(10-8-19)23-6-3-15-29-23/h2-10,15-16H,11-14,17-18H2,1H3/p+1