[(3R)-1-[(3-bromanyl-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-morpholin-4-yl-methanone

Systemtic Name: [(3R)-1-[(3-bromanyl-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-morpholin-4-yl-methanone Openeye Name: [(3R)-1-[(3-bromo-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-morpholino-methanone CAS Name: [(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-morpholin-4-ylmethanone Traditional Name: [(3R)-1-(3-bromo-4-methoxy-benzyl)piperidin-1-ium-3-yl]-morpholino-methanone Formula: C18H26BrN2O3+ MolecularWeight: 398.31464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCOCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCOCC3)Br

InChI

InChI=1S/C18H25BrN2O3/c1-23-17-5-4-14(11-16(17)19)12-20-6-2-3-15(13-20)18(22)21-7-9-24-10-8-21/h4-5,11,15H,2-3,6-10,12-13H2,1H3/p+1/t15-/m1/s1