[1-[2-(4-bromanylphenoxy)ethyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [1-[2-(4-bromanylphenoxy)ethyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [1-[2-(4-bromophenoxy)ethyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone CAS Name: [1-[2-(4-bromophenoxy)ethyl]-4-piperidin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [1-[2-(4-bromophenoxy)ethyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [1-[2-(4-bromophenoxy)ethyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Formula: C21H25BrNO3+ MolecularWeight: 419.3321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CCOC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrNO3/c1-25-19-6-2-16(3-7-19)21(24)17-10-12-23(13-11-17)14-15-26-20-8-4-18(22)5-9-20/h2-9,17H,10-15H2,1H3/p+1