(2-bromanyl-5-methoxy-phenyl)-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-[[(2R)-2-oxolanyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Formula: C18H26BrN2O3+ MolecularWeight: 398.31464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCC[NH+](CC2)CC3CCCO3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCC[NH+](CC2)C[C@H]3CCCO3

InChI

InChI=1S/C18H25BrN2O3/c1-23-14-5-6-17(19)16(12-14)18(22)21-8-3-7-20(9-10-21)13-15-4-2-11-24-15/h5-6,12,15H,2-4,7-11,13H2,1H3/p+1/t15-/m1/s1