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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H29BrN2O/c1-15-5-11-22(12-6-15)18-7-9-21(10-8-18)14-16-13-17(20)3-4-19(16)23-2/h3-4,13,15,18H,5-12,14H2,1-2H3/p+2