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

Systemtic Name: 4-bromanyl-2-[[4-(4-methylpiperazine-1,4-diium-1-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(4-methylpiperazine-1,4-diium-1-yl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(4-methyl-1-piperazine-1,4-diiumyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(4-methylpiperazine-1,4-diium-1-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(4-methylpiperazine-1,4-diium-1-yl)piperidin-1-ium-1-yl]methyl]phenol Formula: C17H29BrN3O+3 MolecularWeight: 371.33566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26BrN3O/c1-19-8-10-21(11-9-19)16-4-6-20(7-5-16)13-14-12-15(18)2-3-17(14)22/h2-3,12,16,22H,4-11,13H2,1H3/p+3