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

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C17H24BrN2O3+ MolecularWeight: 384.28806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CC[NH+](CC2)CC3CCCO3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CC[NH+](CC2)C[C@H]3CCCO3

InChI

InChI=1S/C17H23BrN2O3/c1-22-13-4-5-16(18)15(11-13)17(21)20-8-6-19(7-9-20)12-14-3-2-10-23-14/h4-5,11,14H,2-3,6-10,12H2,1H3/p+1/t14-/m1/s1