1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3R)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3R)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(3R)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methyl-1-piperidin-1-iumyl]piperidin-1-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-[(3R)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Formula: C19H31BrN2O+2 MolecularWeight: 383.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H29BrN2O/c1-15-4-3-9-22(13-15)18-7-10-21(11-8-18)14-16-12-17(20)5-6-19(16)23-2/h5-6,12,15,18H,3-4,7-11,13-14H2,1-2H3/p+2/t15-/m1/s1