[3-(phenoxymethyl)furan-2-yl]-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: [3-(phenoxymethyl)furan-2-yl]-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[3-(phenoxymethyl)-2-furyl]methanone CAS Name: [3-(phenoxymethyl)-2-furanyl]-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[3-(phenoxymethyl)-2-furyl]methanone Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=C(C=CO2)COC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=C(C=CO2)COC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3/c27-24(23-21(12-17-28-23)19-29-22-10-5-2-6-11-22)26-14-7-13-25(15-16-26)18-20-8-3-1-4-9-20/h1-6,8-12,17H,7,13-16,18-19H2/p+1