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

Systemtic Name: 2-(4-azanyl-4-pyridin-3-yl-piperazin-4-ium-1-yl)-1-cyclohexa-1,3-dien-1-yl-ethanol Openeye Name: 2-[4-amino-4-(3-pyridyl)piperazin-4-ium-1-yl]-1-cyclohexa-1,3-dien-1-yl-ethanol CAS Name: 2-[4-amino-4-(3-pyridinyl)-1-piperazin-4-iumyl]-1-(1-cyclohexa-1,3-dienyl)ethanol IUPAC Name: 2-(4-amino-4-pyridin-3-ylpiperazin-4-ium-1-yl)-1-cyclohexa-1,3-dien-1-ylethanol Traditional Name: 2-[4-amino-4-(3-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=CN=CC=C3)N)O

Isomeric SMILES

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

InChI

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