1-(azepan-1-ium-1-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: 1-(azepan-1-ium-1-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: 1-(azepan-1-ium-1-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: 1-(1-azepan-1-iumyl)-3-(4-methyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: 1-(azepan-1-ium-1-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: 1-(azepan-1-ium-1-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C14H32N3O+3 MolecularWeight: 258.42338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(C[NH+]2CCCCCC2)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(C[NH+]2CCCCCC2)O

InChI

InChI=1S/C14H29N3O/c1-15-8-10-17(11-9-15)13-14(18)12-16-6-4-2-3-5-7-16/h14,18H,2-13H2,1H3/p+3