azepan-1-yl-[(3R)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3R)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-3-yl]methanone Formula: C20H30BrN2O2+ MolecularWeight: 410.3684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC[C@H](C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H29BrN2O2/c1-25-19-9-8-18(21)13-17(19)15-22-10-6-7-16(14-22)20(24)23-11-4-2-3-5-12-23/h8-9,13,16H,2-7,10-12,14-15H2,1H3/p+1/t16-/m1/s1