(5-bromanylfuran-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (5-bromanylfuran-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (5-bromo-3-furyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (5-bromo-3-furanyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (5-bromofuran-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (5-bromo-3-furyl)-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C18H22BrN2O3+ MolecularWeight: 394.28288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=COC(=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=COC(=C3)Br

InChI

InChI=1S/C18H21BrN2O3/c1-23-16-5-3-14(4-6-16)12-20-7-2-8-21(10-9-20)18(22)15-11-17(19)24-13-15/h3-6,11,13H,2,7-10,12H2,1H3/p+1