4-bromanyl-2-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenol

Systemtic Name: 4-bromanyl-2-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenol CAS Name: 4-bromo-2-[[4-(1-pyrrolidin-1-iumyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenol Formula: C16H25BrN2O+2 MolecularWeight: 341.2865

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CC[NH+](C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C16H23BrN2O/c17-14-3-4-16(20)13(11-14)12-18-9-5-15(6-10-18)19-7-1-2-8-19/h3-4,11,15,20H,1-2,5-10,12H2/p+2