4-bromanyl-2-[[4-(4-ethylpiperazine-1,4-diium-1-yl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-(4-ethylpiperazine-1,4-diium-1-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(4-ethylpiperazine-1,4-diium-1-yl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(4-ethyl-1-piperazine-1,4-diiumyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(4-ethylpiperazine-1,4-diium-1-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(4-ethylpiperazine-1,4-diium-1-yl)piperidin-1-ium-1-yl]methyl]phenol Formula: C18H31BrN3O+3 MolecularWeight: 385.36224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H28BrN3O/c1-2-20-9-11-22(12-10-20)17-5-7-21(8-6-17)14-15-13-16(19)3-4-18(15)23/h3-4,13,17,23H,2,5-12,14H2,1H3/p+3