2-(4-azanyl-4-pyridin-2-yl-piperazin-4-ium-1-yl)-1-cyclohexa-1,3-dien-1-yl-ethanol

Systemtic Name: 2-(4-azanyl-4-pyridin-2-yl-piperazin-4-ium-1-yl)-1-cyclohexa-1,3-dien-1-yl-ethanol Openeye Name: 2-[4-amino-4-(2-pyridyl)piperazin-4-ium-1-yl]-1-cyclohexa-1,3-dien-1-yl-ethanol CAS Name: 2-[4-amino-4-(2-pyridinyl)-1-piperazin-4-iumyl]-1-(1-cyclohexa-1,3-dienyl)ethanol IUPAC Name: 2-(4-amino-4-pyridin-2-ylpiperazin-4-ium-1-yl)-1-cyclohexa-1,3-dien-1-ylethanol Traditional Name: 2-[4-amino-4-(2-pyridyl)piperazin-4-ium-1-yl]-1-cyclohexa-1,3-dien-1-yl-ethanol Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1)C(CN2CC[N+](CC2)(C3=CC=CC=N3)N)O

Isomeric SMILES

C1CC(=CC=C1)C(CN2CC[N+](CC2)(C3=CC=CC=N3)N)O

InChI

InChI=1S/C17H25N4O/c18-21(17-8-4-5-9-19-17)12-10-20(11-13-21)14-16(22)15-6-2-1-3-7-15/h1-2,4-6,8-9,16,22H,3,7,10-14,18H2/q+1